2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H29N3 — CID 64858333

IUPAC2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCCC(CCn2c(C3CC3)nc3c2CCNC3)C1
InChIInChI=1S/C18H29N3/c1-13-3-2-4-14(11-13)8-10-21-17-7-9-19-12-16(17)20-18(21)15-5-6-15/h13-15,19H,2-12H2,1H3
InChIKeyDSRLIZZMAZMTCI-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.62
Rot. Bonds4

About 2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858333) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858333
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCCC(CCn2c(C3CC3)nc3c2CCNC3)C1
InChIInChI=1S/C18H29N3/c1-13-3-2-4-14(11-13)8-10-21-17-7-9-19-12-16(17)20-18(21)15-5-6-15/h13-15,19H,2-12H2,1H3
InChIKeyDSRLIZZMAZMTCI-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858333) is 2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1CCCC(CCn2c(C3CC3)nc3c2CCNC3)C1.
What is the InChIKey of 2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is DSRLIZZMAZMTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13-3-2-4-14(11-13)8-10-21-17-7-9-19-12-16(17)20-18(21)15-5-6-15/h13-15,19H,2-12H2,1H3.
What are the key properties of 2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 287.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(3-methylcyclohexyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).