3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide

C13H24N2O — CID 115895860

IUPAC3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NCCC1=CCCC1
InChIInChI=1S/C13H24N2O/c1-11(10-13(16)15(2)3)14-9-8-12-6-4-5-7-12/h6,11,14H,4-5,7-10H2,1-3H3
InChIKeyGCPKAGAUECUEAG-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.94
Rot. Bonds6

About 3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide

3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide (PubChem CID 115895860) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide
PubChem CID115895860
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NCCC1=CCCC1
InChIInChI=1S/C13H24N2O/c1-11(10-13(16)15(2)3)14-9-8-12-6-4-5-7-12/h6,11,14H,4-5,7-10H2,1-3H3
InChIKeyGCPKAGAUECUEAG-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate
CID 106173950
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115895912
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033
2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide
CID 103843115
2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide
CID 60719007
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
3-(2-cyclopentylethylamino)-N,N-dimethylbutanamide
CID 115708191
N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide
CID 115731929
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090
[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea
CID 103904492

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide (CID 115895860) is 3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)NCCC1=CCCC1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide?
The InChIKey is GCPKAGAUECUEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(10-13(16)15(2)3)14-9-8-12-6-4-5-7-12/h6,11,14H,4-5,7-10H2,1-3H3.
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide?
3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide has a molecular weight of 224.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 115895860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).