1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine

C24H45N — CID 129293802

IUPAC1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine
SMILESC=C=C(CCCCCCCCCCCCCC)N1CCC(CCC)C1
InChIInChI=1S/C24H45N/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-24(6-3)25-21-20-23(22-25)18-5-2/h23H,3-5,7-22H2,1-2H3
InChIKeyNJZUJUPBRPXXCA-UHFFFAOYSA-N
MW347.63 g/mol
LogP7.87
Rot. Bonds16

About 1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine

1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine (PubChem CID 129293802) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is 1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine.

Molecular Properties

Compound Name1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine
PubChem CID129293802
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC Name1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine
SMILESC=C=C(CCCCCCCCCCCCCC)N1CCC(CCC)C1
InChIInChI=1S/C24H45N/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-24(6-3)25-21-20-23(22-25)18-5-2/h23H,3-5,7-22H2,1-2H3
InChIKeyNJZUJUPBRPXXCA-UHFFFAOYSA-N
XLogP7.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine?
The IUPAC name of 1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine (CID 129293802) is 1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine.
What is the SMILES notation for 1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine?
The canonical SMILES for 1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine is C=C=C(CCCCCCCCCCCCCC)N1CCC(CCC)C1.
What is the InChIKey of 1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine?
The InChIKey is NJZUJUPBRPXXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-24(6-3)25-21-20-23(22-25)18-5-2/h23H,3-5,7-22H2,1-2H3.
What are the key properties of 1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine?
1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine has a molecular weight of 347.63 g/mol, XLogP of 7.87, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadeca-1,2-dien-3-yl-3-propylpyrrolidine is sourced from PubChem (CID 129293802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).