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CAS 26735-20-6 N-(3-aminopropyl)-N-cyclohexyl-N-methylamine molecular structure lightbox
CAS RN: 26735-20-6

N-(3-aminopropyl)-N-cyclohexyl-N-methylamine

  • Product code: SSC-124872
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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 26735-20-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

26735-20-6 / N'-cyclohexyl-N'-methylpropane-1,3-diamine

Standard CAS: 26735-20-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26735-20-6
Multi CAS
No
Molecular Formula
C10H22N2
Molecular Weight
170.300000
Exact Mass
170.178299
SMILES
CN(CCCN)C1CCCCC1
InChI
InChI=1S/C10H22N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h10H,2-9,11H2,1H3
InChIKey
GOODZUIQBJNDNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.17
TPSA
29.26

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
1.5
Consensus LogP
1.5
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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