2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide

C13H20N2O — CID 103843115

IUPAC2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCCC1=CCCC1
InChIInChI=1S/C13H20N2O/c1-3-9-15-13(16)11(2)14-10-8-12-6-4-5-7-12/h1,6,11,14H,4-5,7-10H2,2H3,(H,15,16)
InChIKeyXJZOHGNQAYHJFQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.21
Rot. Bonds6

About 2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide

2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide (PubChem CID 103843115) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide
PubChem CID103843115
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCCC1=CCCC1
InChIInChI=1S/C13H20N2O/c1-3-9-15-13(16)11(2)14-10-8-12-6-4-5-7-12/h1,6,11,14H,4-5,7-10H2,2H3,(H,15,16)
InChIKeyXJZOHGNQAYHJFQ-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571067
2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide
CID 60719007
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
CID 60638654
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate
CID 106173950
2-chloro-N-[2-(cyclopenten-1-yl)ethylcarbamoyl]propanamide
CID 106178247
3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide
CID 115895860
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one
CID 82100138
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one
CID 82100261

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide (CID 103843115) is 2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCCC1=CCCC1.
What is the InChIKey of 2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide?
The InChIKey is XJZOHGNQAYHJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-9-15-13(16)11(2)14-10-8-12-6-4-5-7-12/h1,6,11,14H,4-5,7-10H2,2H3,(H,15,16).
What are the key properties of 2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide?
2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 103843115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).