1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

C18H34N2 — CID 163125678

IUPAC1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCC1CC(C)CC(CN2C(C)CN3CC(C)CCC32)C1
InChIInChI=1S/C18H34N2/c1-13-5-6-18-19(10-13)11-16(4)20(18)12-17-8-14(2)7-15(3)9-17/h13-18H,5-12H2,1-4H3
InChIKeyOKFDMPNVCAFEFW-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.82
Rot. Bonds2

About 1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (PubChem CID 163125678) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
PubChem CID163125678
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCC1CC(C)CC(CN2C(C)CN3CC(C)CCC32)C1
InChIInChI=1S/C18H34N2/c1-13-5-6-18-19(10-13)11-16(4)20(18)12-17-8-14(2)7-15(3)9-17/h13-18H,5-12H2,1-4H3
InChIKeyOKFDMPNVCAFEFW-UHFFFAOYSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The IUPAC name of 1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (CID 163125678) is 1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The canonical SMILES for 1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is CC1CC(C)CC(CN2C(C)CN3CC(C)CCC32)C1.
What is the InChIKey of 1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The InChIKey is OKFDMPNVCAFEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-13-5-6-18-19(10-13)11-16(4)20(18)12-17-8-14(2)7-15(3)9-17/h13-18H,5-12H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine has a molecular weight of 278.48 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylcyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 163125678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).