6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine

C15H21N3 — CID 79828393

IUPAC6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(n2cnc3ccccc32)C1N
InChIInChI=1S/C15H21N3/c1-15(2)9-5-8-13(14(15)16)18-10-17-11-6-3-4-7-12(11)18/h3-4,6-7,10,13-14H,5,8-9,16H2,1-2H3
InChIKeySZYABUSULOKUIV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.11
Rot. Bonds1

About 6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine

6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79828393) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79828393
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(n2cnc3ccccc32)C1N
InChIInChI=1S/C15H21N3/c1-15(2)9-5-8-13(14(15)16)18-10-17-11-6-3-4-7-12(11)18/h3-4,6-7,10,13-14H,5,8-9,16H2,1-2H3
InChIKeySZYABUSULOKUIV-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine (CID 79828393) is 6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCC(n2cnc3ccccc32)C1N.
What is the InChIKey of 6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is SZYABUSULOKUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2)9-5-8-13(14(15)16)18-10-17-11-6-3-4-7-12(11)18/h3-4,6-7,10,13-14H,5,8-9,16H2,1-2H3.
What are the key properties of 6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine?
6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79828393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).