2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine

C15H27N3 — CID 55064782

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(n2cnc(C)c2C)C1
InChIInChI=1S/C15H27N3/c1-5-6-13-7-8-14(16-4)15(9-13)18-10-17-11(2)12(18)3/h10,13-16H,5-9H2,1-4H3
InChIKeyOBSFWWHJCKOZMH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.23
Rot. Bonds4

About 2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine

2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 55064782) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine
PubChem CID55064782
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(n2cnc(C)c2C)C1
InChIInChI=1S/C15H27N3/c1-5-6-13-7-8-14(16-4)15(9-13)18-10-17-11(2)12(18)3/h10,13-16H,5-9H2,1-4H3
InChIKeyOBSFWWHJCKOZMH-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine (CID 55064782) is 2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(n2cnc(C)c2C)C1.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is OBSFWWHJCKOZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-6-13-7-8-14(16-4)15(9-13)18-10-17-11(2)12(18)3/h10,13-16H,5-9H2,1-4H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine?
2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 55064782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).