1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide

C13H22N4O — CID 79571495

IUPAC1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1ncn(CCC2CCCC2(N)C(N)=O)c1C
InChIInChI=1S/C13H22N4O/c1-9-10(2)17(8-16-9)7-5-11-4-3-6-13(11,15)12(14)18/h8,11H,3-7,15H2,1-2H3,(H2,14,18)
InChIKeyHDPMLMLVPXTFCF-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.87
Rot. Bonds4

About 1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 79571495) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID79571495
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1ncn(CCC2CCCC2(N)C(N)=O)c1C
InChIInChI=1S/C13H22N4O/c1-9-10(2)17(8-16-9)7-5-11-4-3-6-13(11,15)12(14)18/h8,11H,3-7,15H2,1-2H3,(H2,14,18)
InChIKeyHDPMLMLVPXTFCF-UHFFFAOYSA-N
XLogP0.87
TPSA86.93 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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide (CID 79571495) is 1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide is Cc1ncn(CCC2CCCC2(N)C(N)=O)c1C.
What is the InChIKey of 1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is HDPMLMLVPXTFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-10(2)17(8-16-9)7-5-11-4-3-6-13(11,15)12(14)18/h8,11H,3-7,15H2,1-2H3,(H2,14,18).
What are the key properties of 1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79571495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).