N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine

C11H19N3 — CID 116877900

IUPACN-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine
SMILESCNC1CCC(c2ncc(C)[nH]2)CC1
InChIInChI=1S/C11H19N3/c1-8-7-13-11(14-8)9-3-5-10(12-2)6-4-9/h7,9-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyZADTVSJACRPHQH-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.96
Rot. Bonds2

About N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine

N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine (PubChem CID 116877900) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine
PubChem CID116877900
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine
SMILESCNC1CCC(c2ncc(C)[nH]2)CC1
InChIInChI=1S/C11H19N3/c1-8-7-13-11(14-8)9-3-5-10(12-2)6-4-9/h7,9-10,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyZADTVSJACRPHQH-UHFFFAOYSA-N
XLogP1.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine (CID 116877900) is N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine is CNC1CCC(c2ncc(C)[nH]2)CC1.
What is the InChIKey of N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine?
The InChIKey is ZADTVSJACRPHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-7-13-11(14-8)9-3-5-10(12-2)6-4-9/h7,9-10,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine?
N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 116877900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).