N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine

C16H22N4 — CID 80706120

IUPACN-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ccc(NC2CCC(C)(C)C2)cn1
InChIInChI=1S/C16H22N4/c1-12-17-8-9-20(12)15-5-4-14(11-18-15)19-13-6-7-16(2,3)10-13/h4-5,8-9,11,13,19H,6-7,10H2,1-3H3
InChIKeyKTBBKGFVIABRIP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.57
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine

N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine (PubChem CID 80706120) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine
PubChem CID80706120
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ccc(NC2CCC(C)(C)C2)cn1
InChIInChI=1S/C16H22N4/c1-12-17-8-9-20(12)15-5-4-14(11-18-15)19-13-6-7-16(2,3)10-13/h4-5,8-9,11,13,19H,6-7,10H2,1-3H3
InChIKeyKTBBKGFVIABRIP-UHFFFAOYSA-N
XLogP3.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-imidazol-1-yl)pyridin-4-yl]methanamine
CID 16782615
2,4-Disubstituted Pyrimidine 2b
CID 5329415
2,4-Disubstituted Pyrimidine 2c
CID 5329416
N-(3,5-dimethylphenyl)-4-(2-phenyl-1H-imidazol-1-yl)pyrimidin-2-amine
CID 5329417
2,4-Disubstituted Pyrimidine 4b
CID 5329431
2,4-Disubstituted Pyrimidine 4c
CID 5329432
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
2,4-Disubstituted Pyrimidine 5h
CID 5329443
2,4-Disubstituted Pyrimidine 5j
CID 5329445
Pyridine, 3-(1-methyl-1H-imidazol-4-yl)-
CID 11344157
3-(2-Methyl-1H-imidazol-1-yl)pyridine
CID 16654686

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine (CID 80706120) is N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine is Cc1nccn1-c1ccc(NC2CCC(C)(C)C2)cn1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine?
The InChIKey is KTBBKGFVIABRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-17-8-9-20(12)15-5-4-14(11-18-15)19-13-6-7-16(2,3)10-13/h4-5,8-9,11,13,19H,6-7,10H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine?
N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-6-(2-methylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 80706120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).