2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide

C13H24N2O — CID 115880295

IUPAC2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1CCC(C)(C)C1
InChIInChI=1S/C13H24N2O/c1-5-8-14-12(16)10(2)15-11-6-7-13(3,4)9-11/h5,10-11,15H,1,6-9H2,2-4H3,(H,14,16)
InChIKeyMBPKNICIEQGPPF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.85
Rot. Bonds5

About 2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide

2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide (PubChem CID 115880295) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide
PubChem CID115880295
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC1CCC(C)(C)C1
InChIInChI=1S/C13H24N2O/c1-5-8-14-12(16)10(2)15-11-6-7-13(3,4)9-11/h5,10-11,15H,1,6-9H2,2-4H3,(H,14,16)
InChIKeyMBPKNICIEQGPPF-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide
CID 130718522
N-cyclopropyl-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 115880300
2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide
CID 115695289
4-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 60809074
N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide
CID 103062825
(2R)-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 130676096
methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
CID 80705486
2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
CID 63923148
2-[(3-methylsulfanylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 114123114
(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide
CID 103923548
1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one
CID 115880311
2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one
CID 80705947

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide (CID 115880295) is 2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC1CCC(C)(C)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide?
The InChIKey is MBPKNICIEQGPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-8-14-12(16)10(2)15-11-6-7-13(3,4)9-11/h5,10-11,15H,1,6-9H2,2-4H3,(H,14,16).
What are the key properties of 2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide?
2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide has a molecular weight of 224.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 115880295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).