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CAS 22431-10-3 2-N-METHYLAMINOPENTANE molecular structure lightbox
CAS RN: 22431-10-3

2-N-METHYLAMINOPENTANE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260221 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS22431-10-3
  • Purity/Analytical Methods: >99.0%
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22431-10-3 / N-methylpentan-2-amine

Standard CAS: 22431-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22431-10-3
Multi CAS
No
Molecular Formula
C6H15N
Molecular Weight
101.190000
Exact Mass
101.120449
SMILES
CCCC(C)NC
InChI
InChI=1S/C6H15N/c1-4-5-6(2)7-3/h6-7H,4-5H2,1-3H3
InChIKey
IPBXLJFBVNLKFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.43
TPSA
12.03

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.5
Consensus LogP
1.37
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-2.35

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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