3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine

C16H22N4 — CID 114720940

IUPAC3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine
SMILESCC1CC(C)CC(n2cncc2-c2cccnc2N)C1
InChIInChI=1S/C16H22N4/c1-11-6-12(2)8-13(7-11)20-10-18-9-15(20)14-4-3-5-19-16(14)17/h3-5,9-13H,6-8H2,1-2H3,(H2,17,19)
InChIKeyKFZOQWFTNOWRHH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.52
Rot. Bonds2

About 3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine

3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114720940) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114720940
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine
SMILESCC1CC(C)CC(n2cncc2-c2cccnc2N)C1
InChIInChI=1S/C16H22N4/c1-11-6-12(2)8-13(7-11)20-10-18-9-15(20)14-4-3-5-19-16(14)17/h3-5,9-13H,6-8H2,1-2H3,(H2,17,19)
InChIKeyKFZOQWFTNOWRHH-UHFFFAOYSA-N
XLogP3.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2,3-dimethylcyclopentyl)imidazol-4-yl]pyridin-2-amine
CID 114720988
3-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]pyridin-2-amine
CID 114720389
3-[3-(1-cyclopentylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720645
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114720343
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
CID 114718970
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722123
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine (CID 114720940) is 3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine is CC1CC(C)CC(n2cncc2-c2cccnc2N)C1.
What is the InChIKey of 3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is KFZOQWFTNOWRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-6-12(2)8-13(7-11)20-10-18-9-15(20)14-4-3-5-19-16(14)17/h3-5,9-13H,6-8H2,1-2H3,(H2,17,19).
What are the key properties of 3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114720940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).