1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride

C13H24Cl2N4O — CID 119859039

IUPAC1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCC(CNC(=O)C1(N)CCCC1)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-11(9-17-7-6-15-10-17)8-16-12(18)13(14)4-2-3-5-13;;/h6-7,10-11H,2-5,8-9,14H2,1H3,(H,16,18);2*1H
InChIKeyREPUHMICEORQGY-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.75
Rot. Bonds5

About 1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119859039) has the molecular formula C13H24Cl2N4O and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119859039
Molecular FormulaC13H24Cl2N4O
Molecular Weight323.27 g/mol
Exact Mass322.13
IUPAC Name1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCC(CNC(=O)C1(N)CCCC1)Cn1ccnc1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-11(9-17-7-6-15-10-17)8-16-12(18)13(14)4-2-3-5-13;;/h6-7,10-11H,2-5,8-9,14H2,1H3,(H,16,18);2*1H
InChIKeyREPUHMICEORQGY-UHFFFAOYSA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
CID 120503214
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119859033
N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride
CID 91663022
3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
CID 91649854
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
1-amino-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119902544
1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide
CID 64552335

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride (CID 119859039) is 1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride is CC(CNC(=O)C1(N)CCCC1)Cn1ccnc1.Cl.Cl.
What is the InChIKey of 1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is REPUHMICEORQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.2ClH/c1-11(9-17-7-6-15-10-17)8-16-12(18)13(14)4-2-3-5-13;;/h6-7,10-11H,2-5,8-9,14H2,1H3,(H,16,18);2*1H.
What are the key properties of 1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 323.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119859039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).