N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide

C13H22N4O — CID 18722750

IUPACN-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide
SMILESNc1nccn1CCCNC(=O)C1CCCCC1
InChIInChI=1S/C13H22N4O/c14-13-16-8-10-17(13)9-4-7-15-12(18)11-5-2-1-3-6-11/h8,10-11H,1-7,9H2,(H2,14,16)(H,15,18)
InChIKeyODNAIDCMMRKQNE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.55
Rot. Bonds5

About N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide

N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide (PubChem CID 18722750) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide
PubChem CID18722750
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide
SMILESNc1nccn1CCCNC(=O)C1CCCCC1
InChIInChI=1S/C13H22N4O/c14-13-16-8-10-17(13)9-4-7-15-12(18)11-5-2-1-3-6-11/h8,10-11H,1-7,9H2,(H2,14,16)(H,15,18)
InChIKeyODNAIDCMMRKQNE-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.55
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

N-[3-(1H-imidazol-1-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2932382
N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124
2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
N-hydroxy-N'-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)propanediamide
CID 178311211
N-(3-imidazol-1-ylpropyl)adamantane-1-carboxamide
CID 2886018
1H-Imidazole, 1-(cyclohexylcarbonyl)-
CID 557953
rac-(5R,6S)-5-(aminomethyl)-1-cyclopropyl-6-(1-methyl-1H-imidazol-2-yl)piperidin-2-one
CID 125424778
(3r,5r,7r)-N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)adamantane-1-carboxamide
CID 49621091
Cyclohexyl[4-(1-methyl-2-imidazolyl)-1-piperazinyl]methanone-hydrogen chloride (1/1)
CID 71779952
(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
CID 75411825
(1S,11R)-2-(1-methylimidazole-2-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201241

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide (CID 18722750) is N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide is Nc1nccn1CCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide?
The InChIKey is ODNAIDCMMRKQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c14-13-16-8-10-17(13)9-4-7-15-12(18)11-5-2-1-3-6-11/h8,10-11H,1-7,9H2,(H2,14,16)(H,15,18).
What are the key properties of N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide?
N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoimidazol-1-yl)propyl]cyclohexanecarboxamide is sourced from PubChem (CID 18722750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).