1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H31N3 — CID 64858331

IUPAC1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCC(CCn2c(C(C)C)nc3c2CCNC3)CC1
InChIInChI=1S/C18H31N3/c1-13(2)18-20-16-12-19-10-8-17(16)21(18)11-9-15-6-4-14(3)5-7-15/h13-15,19H,4-12H2,1-3H3
InChIKeyQXQQGYLBBJCZII-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.87
Rot. Bonds4

About 1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858331) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858331
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCC(CCn2c(C(C)C)nc3c2CCNC3)CC1
InChIInChI=1S/C18H31N3/c1-13(2)18-20-16-12-19-10-8-17(16)21(18)11-9-15-6-4-14(3)5-7-15/h13-15,19H,4-12H2,1-3H3
InChIKeyQXQQGYLBBJCZII-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858331) is 1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1CCC(CCn2c(C(C)C)nc3c2CCNC3)CC1.
What is the InChIKey of 1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is QXQQGYLBBJCZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-13(2)18-20-16-12-19-10-8-17(16)21(18)11-9-15-6-4-14(3)5-7-15/h13-15,19H,4-12H2,1-3H3.
What are the key properties of 1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 289.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).