N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine

C15H27N3 — CID 106574600

IUPACN-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC1CCC(C)C(C)C1
InChIInChI=1S/C15H27N3/c1-5-8-18-10-13(4)16-15(18)17-14-7-6-11(2)12(3)9-14/h10-12,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyNBXZVIHOSCMWFJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.84
Rot. Bonds4

About N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine

N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine (PubChem CID 106574600) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine
PubChem CID106574600
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC1CCC(C)C(C)C1
InChIInChI=1S/C15H27N3/c1-5-8-18-10-13(4)16-15(18)17-14-7-6-11(2)12(3)9-14/h10-12,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyNBXZVIHOSCMWFJ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine (CID 106574600) is N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine is CCCn1cc(C)nc1NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine?
The InChIKey is NBXZVIHOSCMWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-8-18-10-13(4)16-15(18)17-14-7-6-11(2)12(3)9-14/h10-12,14H,5-9H2,1-4H3,(H,16,17).
What are the key properties of N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine?
N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine is sourced from PubChem (CID 106574600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).