2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine

C18H27N3 — CID 43196258

IUPAC2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCC(C)C1C)c1nc2ccccc2n1C
InChIInChI=1S/C18H27N3/c1-12-8-7-10-15(13(12)2)19-14(3)18-20-16-9-5-6-11-17(16)21(18)4/h5-6,9,11-15,19H,7-8,10H2,1-4H3
InChIKeyVNKUFMRIADMDJR-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.05
Rot. Bonds3

About 2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine

2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 43196258) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine
PubChem CID43196258
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCC(C)C1C)c1nc2ccccc2n1C
InChIInChI=1S/C18H27N3/c1-12-8-7-10-15(13(12)2)19-14(3)18-20-16-9-5-6-11-17(16)21(18)4/h5-6,9,11-15,19H,7-8,10H2,1-4H3
InChIKeyVNKUFMRIADMDJR-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine (CID 43196258) is 2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine is CC(NC1CCCC(C)C1C)c1nc2ccccc2n1C.
What is the InChIKey of 2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is VNKUFMRIADMDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12-8-7-10-15(13(12)2)19-14(3)18-20-16-9-5-6-11-17(16)21(18)4/h5-6,9,11-15,19H,7-8,10H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine?
2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43196258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).