3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide

C13H22N2O — CID 115653020

IUPAC3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCNC1CCC(CC)C1
InChIInChI=1S/C13H22N2O/c1-3-8-15-13(16)7-9-14-12-6-5-11(4-2)10-12/h1,11-12,14H,4-10H2,2H3,(H,15,16)
InChIKeyWKCFTVDOPZWLIH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.29
Rot. Bonds6

About 3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide

3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide (PubChem CID 115653020) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide
PubChem CID115653020
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCNC1CCC(CC)C1
InChIInChI=1S/C13H22N2O/c1-3-8-15-13(16)7-9-14-12-6-5-11(4-2)10-12/h1,11-12,14H,4-10H2,2H3,(H,15,16)
InChIKeyWKCFTVDOPZWLIH-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-[(3-ethylcyclohexyl)amino]propanamide
CID 64743974
N-[2-[(3-ethylcyclopentyl)amino]ethyl]cyclopropanecarboxamide
CID 115651444
3-cyclopentyl-N-prop-2-ynylpropanamide
CID 60646217
3-[(3-aminocyclopentyl)amino]-N-cyclopropylpropanamide
CID 79462547
N-propyl-N'-prop-2-ynylbutanediamide
CID 163636488
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide
CID 97218985
3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide
CID 113409721
3-[(3-aminocyclobutyl)amino]-N-cyclopropylpropanamide
CID 80562214
5-[(3-ethylcyclohexyl)amino]pentanoic acid
CID 103253769
3-[(3-cyclopropylcyclohexyl)amino]-N-ethylpropanamide
CID 113409677

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide (CID 115653020) is 3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)CCNC1CCC(CC)C1.
What is the InChIKey of 3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide?
The InChIKey is WKCFTVDOPZWLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-8-15-13(16)7-9-14-12-6-5-11(4-2)10-12/h1,11-12,14H,4-10H2,2H3,(H,15,16).
What are the key properties of 3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide?
3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide has a molecular weight of 222.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylcyclopentyl)amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 115653020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).