2-(5-Hexenyl)-5-(8-nonenyl)pyrrolidine

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Basic information

CAS: 100594-86-3
Standard SMILES: C=CCCCCCCCC1CCC(CCCCC=C)N1
InChIKey: YCQNSAJAZIVRFR-UHFFFAOYSA-N
Molecular formula: C19H35N
Average molar mass: 277.5 g/mol
Monoisotopic mass: 277.27695012

Names & identifiers

Preferred name: 2-(5-Hexenyl)-5-(8-nonenyl)pyrrolidine
IUPAC: 2-hex-5-enyl-5-non-8-enylpyrrolidine

Names & synonyms

100594-86-32-(5-Hexenyl)-5-(8-nonenyl)pyrrolidineCHEMBL145992-Hex-5-enyl-5-non-8-enyl-pyrrolidine2-hex-5-enyl-5-non-8-enylpyrrolidine2-Hex-5-enyl-5-non-8-enylpyrPyrrolidine, 2-(5-hexenyl)-5-(8-nonenyl)-DTXSID20905609YCQNSAJAZIVRFR-UHFFFAOYSA-NBDBM50284428PD1804752-(HEX-5-EN-1-YL)-5-(NON-8-EN-1-YL)PYRROLIDINE

Database identifiers

CAS: 100594-86-3
PubChem CID: 180889
DTXSID: DTXSID20905609
ChEMBL: CHEMBL14599

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 13
Heavy atoms: 20
Formal charge: 0
Complexity: 246

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Compound notes

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