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CAS 1210514-03-6 1-(5-methyl-2-pyridinyl)-1-propanamine(SALTDATA: 2HCl) molecular structure lightbox
CAS RN: 1210514-03-6

1-(5-methyl-2-pyridinyl)-1-propanamine(SALTDATA: 2HCl)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1210514-03-6
  • Purity/Analytical Methods: >99.0%
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1210514-03-6 / 1-(5-methyl-2-pyridinyl)propan-1-amine

1-(5-Methylpyridin-2-yl)propan-1-amine | 1-(5-methyl-2-pyridinyl)-1-propanamine | SCHEMBL21728791

Standard CAS: 1210514-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1210514-03-6
Multi CAS
Yes
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
SMILES
CCC(C1=NC=C(C=C1)C)N
InChI
InChI=1S/C9H14N2/c1-3-8(10)9-5-4-7(2)6-11-9/h4-6,8H,3,10H2,1-2H3
InChIKey
ZJGCRAJCKXIEKQ-UHFFFAOYSA-N
Synonyms
1-(5-Methylpyridin-2-yl)propan-1-amine 1-(5-methyl-2-pyridinyl)-1-propanamine SCHEMBL21728791 1-(5-methyl-2-pyridinyl)-1-propanamine(SALTDATA: 2HCl) MFCD12827495

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.19
TPSA
38.91

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1
Consensus LogP
1.46
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.36

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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