1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine

C17H29N3 — CID 106577714

IUPAC1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine
SMILESCC1(C)CCCC(Nc2nccn2C2CCCCC2)C1
InChIInChI=1S/C17H29N3/c1-17(2)10-6-7-14(13-17)19-16-18-11-12-20(16)15-8-4-3-5-9-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,18,19)
InChIKeyBGTHNDGRCPWJRZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.77
Rot. Bonds3

About 1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine

1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine (PubChem CID 106577714) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine
PubChem CID106577714
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine
SMILESCC1(C)CCCC(Nc2nccn2C2CCCCC2)C1
InChIInChI=1S/C17H29N3/c1-17(2)10-6-7-14(13-17)19-16-18-11-12-20(16)15-8-4-3-5-9-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,18,19)
InChIKeyBGTHNDGRCPWJRZ-UHFFFAOYSA-N
XLogP4.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine (CID 106577714) is 1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine is CC1(C)CCCC(Nc2nccn2C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine?
The InChIKey is BGTHNDGRCPWJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2)10-6-7-14(13-17)19-16-18-11-12-20(16)15-8-4-3-5-9-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine?
1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3,3-dimethylcyclohexyl)imidazol-2-amine is sourced from PubChem (CID 106577714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).