1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

C17H32N2 — CID 163871953

IUPAC1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCC(C)C1CCC(C2CN3CCCCC3N2C)CC1
InChIInChI=1S/C17H32N2/c1-13(2)14-7-9-15(10-8-14)16-12-19-11-5-4-6-17(19)18(16)3/h13-17H,4-12H2,1-3H3
InChIKeyPLOQNBYVHAQKRR-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.57
Rot. Bonds2

About 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (PubChem CID 163871953) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
PubChem CID163871953
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCC(C)C1CCC(C2CN3CCCCC3N2C)CC1
InChIInChI=1S/C17H32N2/c1-13(2)14-7-9-15(10-8-14)16-12-19-11-5-4-6-17(19)18(16)3/h13-17H,4-12H2,1-3H3
InChIKeyPLOQNBYVHAQKRR-UHFFFAOYSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine with MolForge

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Related Compounds

7-fluoro-2-[3-(3-methylbutyl)cyclohexyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 172348526
1-[(4-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163124597
1-[(2-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163124686
1-[(3-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163130579
1-[(4-fluorocyclohexyl)methyl]-2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163130684
1-[(3-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163132424
1-[(3-fluorocyclohexyl)methyl]-2,8-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163135186
1-[(4-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163146709
1-[(2-fluorocyclohexyl)methyl]-2,8-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163147206
1-[(4-fluorocyclohexyl)methyl]-2,8-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163153548
1-[(2-fluorocyclohexyl)methyl]-2,6-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163158086
1-[(3-fluorocyclohexyl)methyl]-2,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 163160323

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The IUPAC name of 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (CID 163871953) is 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The canonical SMILES for 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is CC(C)C1CCC(C2CN3CCCCC3N2C)CC1.
What is the InChIKey of 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The InChIKey is PLOQNBYVHAQKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13(2)14-7-9-15(10-8-14)16-12-19-11-5-4-6-17(19)18(16)3/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine has a molecular weight of 264.46 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-propan-2-ylcyclohexyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 163871953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).