1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide

C16H28N4O — CID 107496221

IUPAC1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C16H28N4O/c1-16(2,3)12-6-4-5-7-13(12)19-15(21)14-10-20(9-8-17)11-18-14/h10-13H,4-9,17H2,1-3H3,(H,19,21)
InChIKeyOIMBNMYXCCZFNZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.18
Rot. Bonds4

About 1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide (PubChem CID 107496221) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide
PubChem CID107496221
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide
SMILESCC(C)(C)C1CCCCC1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C16H28N4O/c1-16(2,3)12-6-4-5-7-13(12)19-15(21)14-10-20(9-8-17)11-18-14/h10-13H,4-9,17H2,1-3H3,(H,19,21)
InChIKeyOIMBNMYXCCZFNZ-UHFFFAOYSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide
CID 107496671
1-(2-aminoethyl)-N-(2-ethylcyclohexyl)imidazole-4-carboxamide
CID 107496463
1-(2-aminoethyl)-N-(2-methylcyclopropyl)imidazole-4-carboxamide
CID 107498238
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 107497522
1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
CID 107852911
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
1-(2-aminoethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]imidazole-4-carboxamide
CID 107865602
1-(2-aminoethyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)imidazole-4-carboxamide
CID 107499437
1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
CID 107501388
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035
1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide
CID 107496209
2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 106202988

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide (CID 107496221) is 1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide is CC(C)(C)C1CCCCC1NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide?
The InChIKey is OIMBNMYXCCZFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)12-6-4-5-7-13(12)19-15(21)14-10-20(9-8-17)11-18-14/h10-13H,4-9,17H2,1-3H3,(H,19,21).
What are the key properties of 1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide is sourced from PubChem (CID 107496221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).