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CAS 1699101-17-1 6-Isobutyl-4-methylpyridin-3-amine molecular structure lightbox
CAS RN: 1699101-17-1

6-Isobutyl-4-methylpyridin-3-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINI900085
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1699101-17-1 / 4-methyl-6-(2-methylpropyl)pyridin-3-amine

Standard CAS: 1699101-17-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1699101-17-1
Multi CAS
No
Molecular Formula
C10H16N2
Molecular Weight
164.250000
Exact Mass
164.131349
SMILES
CC1=CC(=NC=C1N)CC(C)C
InChI
InChI=1S/C10H16N2/c1-7(2)4-9-5-8(3)10(11)6-12-9/h5-7H,4,11H2,1-3H3
InChIKey
BMZKQCILLYRWNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.93
TPSA
38.91

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.18

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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