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CAS 1186663-67-1 2-(Boc-amino)-4-methylpentylamine molecular structure lightbox
CAS RN: 1186663-67-1

2-(Boc-amino)-4-methylpentylamine

  • Product code: SSC-018597
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1186663-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1186663-67-1 / tert-butyl N-(1-amino-4-methylpentan-2-yl)carbamate

tert-butyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate | tert-Butyl (S)-(1-amino-4-methylpentan-2-yl)carbamate | SCHEMBL2075999

Standard CAS: 1186663-67-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186663-67-1
Multi CAS
Yes
Molecular Formula
C11H24N2O2
Molecular Weight
216.320000
Exact Mass
216.183778
SMILES
CC(C)CC(CN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H24N2O2/c1-8(2)6-9(7-12)13-10(14)15-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKey
WUTNGQAKAKFXRM-UHFFFAOYSA-N
Synonyms
tert-butyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate tert-Butyl (S)-(1-amino-4-methylpentan-2-yl)carbamate SCHEMBL2075999 WUTNGQAKAKFXRM-VIFPVBQESA-N MFCD09885894

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.67
TPSA
64.35

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.7
Consensus LogP
1.75
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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