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CAS 1270911-03-9 3-Pyridinemethanamine, N-(1-methylethyl)-6-(2-methyl-1-pyrrolidinyl)- molecular structure lightbox
CAS RN: 1270911-03-9

3-Pyridinemethanamine, N-(1-methylethyl)-6-(2-methyl-1-pyrrolidinyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260612 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1270911-03-9
  • Purity/Analytical Methods: >99.0%
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1270911-03-9 / N-[[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

Standard CAS: 1270911-03-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1270911-03-9
Multi CAS
No
Molecular Formula
C14H23N3
Molecular Weight
233.350000
Exact Mass
233.189198
SMILES
CC1CCCN1C2=NC=C(C=C2)CNC(C)C
InChI
InChI=1S/C14H23N3/c1-11(2)15-9-13-6-7-14(16-10-13)17-8-4-5-12(17)3/h6-7,10-12,15H,4-5,8-9H2,1-3H3
InChIKey
SCTJSXPMWCVPFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.25
TPSA
28.16

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.4
Consensus LogP
2.41
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-2.32

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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