1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide

C15H26N4O — CID 64552335

IUPAC1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCCCn2ccnc2)C1
InChIInChI=1S/C15H26N4O/c1-13-5-4-6-15(16,11-13)14(20)18-7-2-3-9-19-10-8-17-12-19/h8,10,12-13H,2-7,9,11,16H2,1H3,(H,18,20)
InChIKeyVDXUWDFNFPMURL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.69
Rot. Bonds6

About 1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64552335) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64552335
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCCCn2ccnc2)C1
InChIInChI=1S/C15H26N4O/c1-13-5-4-6-15(16,11-13)14(20)18-7-2-3-9-19-10-8-17-12-19/h8,10,12-13H,2-7,9,11,16H2,1H3,(H,18,20)
InChIKeyVDXUWDFNFPMURL-UHFFFAOYSA-N
XLogP1.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 112701607
1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide
CID 106390906
1-(4-imidazol-1-ylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62097000
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
1-amino-3-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 64552753
1-[(E)-N'-hydroxycarbamimidoyl]-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
CID 80597034
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039
1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide
CID 64550257
2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 83079726
1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80588119
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide (CID 64552335) is 1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCCCCn2ccnc2)C1.
What is the InChIKey of 1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is VDXUWDFNFPMURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13-5-4-6-15(16,11-13)14(20)18-7-2-3-9-19-10-8-17-12-19/h8,10,12-13H,2-7,9,11,16H2,1H3,(H,18,20).
What are the key properties of 1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64552335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).