1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H31N3 — CID 64857793

IUPAC1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)Cc1nc2c(n1C1CCC(C)(C)CC1)CCNC2
InChIInChI=1S/C18H31N3/c1-13(2)11-17-20-15-12-19-10-7-16(15)21(17)14-5-8-18(3,4)9-6-14/h13-14,19H,5-12H2,1-4H3
InChIKeyDZQSWMGSXNPNFJ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.87
Rot. Bonds3

About 1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857793) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857793
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)Cc1nc2c(n1C1CCC(C)(C)CC1)CCNC2
InChIInChI=1S/C18H31N3/c1-13(2)11-17-20-15-12-19-10-7-16(15)21(17)14-5-8-18(3,4)9-6-14/h13-14,19H,5-12H2,1-4H3
InChIKeyDZQSWMGSXNPNFJ-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857793) is 1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)Cc1nc2c(n1C1CCC(C)(C)CC1)CCNC2.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is DZQSWMGSXNPNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-13(2)11-17-20-15-12-19-10-7-16(15)21(17)14-5-8-18(3,4)9-6-14/h13-14,19H,5-12H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 289.47 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).