N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine

C17H31N3 — CID 106578468

IUPACN-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine
SMILESCc1cn(CCCCC(C)C)c(NC2CCCCC2)n1
InChIInChI=1S/C17H31N3/c1-14(2)9-7-8-12-20-13-15(3)18-17(20)19-16-10-5-4-6-11-16/h13-14,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyZYPIAAGQOQFUTM-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.76
Rot. Bonds7

About N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine

N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine (PubChem CID 106578468) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine
PubChem CID106578468
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine
SMILESCc1cn(CCCCC(C)C)c(NC2CCCCC2)n1
InChIInChI=1S/C17H31N3/c1-14(2)9-7-8-12-20-13-15(3)18-17(20)19-16-10-5-4-6-11-16/h13-14,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyZYPIAAGQOQFUTM-UHFFFAOYSA-N
XLogP4.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
CID 106568267
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-cyclopentyl-1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine
CID 106565566
N-cyclohexyl-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572074
N-cyclohexyl-4-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106570476
N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine
CID 106568675
N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579134
N-cyclopentyl-4-methyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580537
N-cyclohexyl-1-(2-cyclopropylpropyl)-4-methylimidazol-2-amine
CID 106580223
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
N-cyclopentyl-4-methyl-1-(3-pyrazol-1-ylpropyl)imidazol-2-amine
CID 106579652
N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine?
The IUPAC name of N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine (CID 106578468) is N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine is Cc1cn(CCCCC(C)C)c(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine?
The InChIKey is ZYPIAAGQOQFUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14(2)9-7-8-12-20-13-15(3)18-17(20)19-16-10-5-4-6-11-16/h13-14,16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine?
N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine is sourced from PubChem (CID 106578468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).