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CAS 110638-61-4 N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine molecular structure lightbox
CAS RN: 110638-61-4

N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine

  • Product code: SSC-011639
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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: 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 110638-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

110638-61-4 / N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine

methyl-pyrrolidin-2-ylmethyl-amine | N-Methyl-1-(pyrrolidin-2-yl)methanamine | N-methyl-1-pyrrolidin-2-ylmethanamine

Standard CAS: 110638-61-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110638-61-4
Multi CAS
Yes
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
SMILES
CNC[C@@H]1CCCN1
InChI
InChI=1S/C6H14N2/c1-7-5-6-3-2-4-8-6/h6-8H,2-5H2,1H3/t6-/m0/s1
InChIKey
HFRAIQDUWJODKF-LURJTMIESA-N
Synonyms
methyl-pyrrolidin-2-ylmethyl-amine N-Methyl-1-(pyrrolidin-2-yl)methanamine N-methyl-1-pyrrolidin-2-ylmethanamine N-methyl(pyrrolidin-2-yl)methanamine methyl[(pyrrolidin-2-yl)methyl]amine

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.95
TPSA
24.06

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.05
XLogP3
-0.1
Consensus LogP
-0.06
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.45

Drug-likeness / Medicinal Chemistry

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

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