(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine

C13H18N4 — CID 82474489

IUPAC(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
SMILESNCc1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C13H18N4/c14-9-12-16-11-7-4-8-15-13(11)17(12)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,14H2
InChIKeyUHTINIHVGWSYKR-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.40
Rot. Bonds2

About (3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine

(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine (PubChem CID 82474489) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
PubChem CID82474489
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
SMILESNCc1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C13H18N4/c14-9-12-16-11-7-4-8-15-13(11)17(12)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,14H2
InChIKeyUHTINIHVGWSYKR-UHFFFAOYSA-N
XLogP2.40
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79289020
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
2-chloro-3-cyclopentylimidazo[4,5-b]pyridine
CID 102139378
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
3-cyclopentyl-2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163544
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117165614
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide
CID 53022486

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine?
The IUPAC name of (3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine (CID 82474489) is (3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine.
What is the SMILES notation for (3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine?
The canonical SMILES for (3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine is NCc1nc2cccnc2n1C1CCCCC1.
What is the InChIKey of (3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine?
The InChIKey is UHTINIHVGWSYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-9-12-16-11-7-4-8-15-13(11)17(12)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,14H2.
What are the key properties of (3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine?
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine is sourced from PubChem (CID 82474489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).