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

C13H24Cl2N4O — CID 119859039

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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