4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine

C14H23N3 — CID 116877919

IUPAC4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2ncc(C3CCC3)[nH]2)CC1
InChIInChI=1S/C14H23N3/c1-15-12-7-5-11(6-8-12)14-16-9-13(17-14)10-3-2-4-10/h9-12,15H,2-8H2,1H3,(H,16,17)
InChIKeyOKBIFKBIQJBWGW-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.92
Rot. Bonds3

About 4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine

4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine (PubChem CID 116877919) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine
PubChem CID116877919
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2ncc(C3CCC3)[nH]2)CC1
InChIInChI=1S/C14H23N3/c1-15-12-7-5-11(6-8-12)14-16-9-13(17-14)10-3-2-4-10/h9-12,15H,2-8H2,1H3,(H,16,17)
InChIKeyOKBIFKBIQJBWGW-UHFFFAOYSA-N
XLogP2.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine (CID 116877919) is 4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine is CNC1CCC(c2ncc(C3CCC3)[nH]2)CC1.
What is the InChIKey of 4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine?
The InChIKey is OKBIFKBIQJBWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-15-12-7-5-11(6-8-12)14-16-9-13(17-14)10-3-2-4-10/h9-12,15H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine?
4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-1H-imidazol-2-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116877919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).