2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine

C15H27N3 — CID 62703898

IUPAC2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCc1nccn1C1CC(C(C)C)CCC1NC
InChIInChI=1S/C15H27N3/c1-5-15-17-8-9-18(15)14-10-12(11(2)3)6-7-13(14)16-4/h8-9,11-14,16H,5-7,10H2,1-4H3
InChIKeyIKOMKFQLHRADFD-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.03
Rot. Bonds4

About 2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62703898) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID62703898
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCc1nccn1C1CC(C(C)C)CCC1NC
InChIInChI=1S/C15H27N3/c1-5-15-17-8-9-18(15)14-10-12(11(2)3)6-7-13(14)16-4/h8-9,11-14,16H,5-7,10H2,1-4H3
InChIKeyIKOMKFQLHRADFD-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 62703898) is 2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine is CCc1nccn1C1CC(C(C)C)CCC1NC.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is IKOMKFQLHRADFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-15-17-8-9-18(15)14-10-12(11(2)3)6-7-13(14)16-4/h8-9,11-14,16H,5-7,10H2,1-4H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62703898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).