2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine

C17H25N3 — CID 83214303

IUPAC2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCCCn1c(C2(C)CCCCC2N)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-12-20-14-9-5-4-8-13(14)19-16(20)17(2)11-7-6-10-15(17)18/h4-5,8-9,15H,3,6-7,10-12,18H2,1-2H3
InChIKeyAEQBUPJBKSCHCN-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.61
Rot. Bonds3

About 2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine

2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 83214303) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID83214303
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCCCn1c(C2(C)CCCCC2N)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-12-20-14-9-5-4-8-13(14)19-16(20)17(2)11-7-6-10-15(17)18/h4-5,8-9,15H,3,6-7,10-12,18H2,1-2H3
InChIKeyAEQBUPJBKSCHCN-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83214231
2-(1-ethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82762313
2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83210870
[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436209
2-(1-ethyl-5-methoxybenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83209762
2-(1-ethylimidazo[4,5-c]pyridin-2-yl)-2-methylcyclopentan-1-amine
CID 82763371
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763149
2-(1-propylbenzimidazol-2-yl)cyclopentan-1-amine
CID 64812653
4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine
CID 66248150
2-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83213999
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82762765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine (CID 83214303) is 2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine is CCCn1c(C2(C)CCCCC2N)nc2ccccc21.
What is the InChIKey of 2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is AEQBUPJBKSCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-12-20-14-9-5-4-8-13(14)19-16(20)17(2)11-7-6-10-15(17)18/h4-5,8-9,15H,3,6-7,10-12,18H2,1-2H3.
What are the key properties of 2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine?
2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 83214303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).