4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide

C13H22N4O — CID 60847096

IUPAC4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C13H22N4O/c1-10(8-17-7-6-15-9-17)16-13(18)11-2-4-12(14)5-3-11/h6-7,9-12H,2-5,8,14H2,1H3,(H,16,18)
InChIKeyLGEYBKIOAOXOLE-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.91
Rot. Bonds4

About 4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide

4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide (PubChem CID 60847096) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
PubChem CID60847096
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C13H22N4O/c1-10(8-17-7-6-15-9-17)16-13(18)11-2-4-12(14)5-3-11/h6-7,9-12H,2-5,8,14H2,1H3,(H,16,18)
InChIKeyLGEYBKIOAOXOLE-UHFFFAOYSA-N
XLogP0.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 43695432
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CID 102944791
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 43695426
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
1-(5-chloro-2-pyridinyl)-N-(1-imidazol-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 51080012
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 47055628
N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride
CID 119856885
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
N-(1-imidazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
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3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
CID 61155803

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide (CID 60847096) is 4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide is CC(Cn1ccnc1)NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is LGEYBKIOAOXOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(8-17-7-6-15-9-17)16-13(18)11-2-4-12(14)5-3-11/h6-7,9-12H,2-5,8,14H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60847096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).