2-heptyl-5-hex-5-enylpyrrolidine

C17H33N — CID 592536

IUPAC2-heptyl-5-hex-5-enylpyrrolidine
SMILESC=CCCCCC1CCC(CCCCCCC)N1
InChIInChI=1S/C17H33N/c1-3-5-7-9-11-13-17-15-14-16(18-17)12-10-8-6-4-2/h4,16-18H,2-3,5-15H2,1H3
InChIKeyHVDZSXDKJFZLAK-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.21
Rot. Bonds11

About 2-heptyl-5-hex-5-enylpyrrolidine

2-heptyl-5-hex-5-enylpyrrolidine (PubChem CID 592536) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-heptyl-5-hex-5-enylpyrrolidine.

Molecular Properties

Compound Name2-heptyl-5-hex-5-enylpyrrolidine
PubChem CID592536
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-heptyl-5-hex-5-enylpyrrolidine
SMILESC=CCCCCC1CCC(CCCCCCC)N1
InChIInChI=1S/C17H33N/c1-3-5-7-9-11-13-17-15-14-16(18-17)12-10-8-6-4-2/h4,16-18H,2-3,5-15H2,1H3
InChIKeyHVDZSXDKJFZLAK-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396
1-decyl-2-hexylcyclopropane;dodec-1-ene;hexadecane
CID 91501691
octadecane;octadec-1-ene
CID 162018238
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-5-hex-5-enylpyrrolidine?
The IUPAC name of 2-heptyl-5-hex-5-enylpyrrolidine (CID 592536) is 2-heptyl-5-hex-5-enylpyrrolidine.
What is the SMILES notation for 2-heptyl-5-hex-5-enylpyrrolidine?
The canonical SMILES for 2-heptyl-5-hex-5-enylpyrrolidine is C=CCCCCC1CCC(CCCCCCC)N1.
What is the InChIKey of 2-heptyl-5-hex-5-enylpyrrolidine?
The InChIKey is HVDZSXDKJFZLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-5-7-9-11-13-17-15-14-16(18-17)12-10-8-6-4-2/h4,16-18H,2-3,5-15H2,1H3.
What are the key properties of 2-heptyl-5-hex-5-enylpyrrolidine?
2-heptyl-5-hex-5-enylpyrrolidine has a molecular weight of 251.46 g/mol, XLogP of 5.21, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-5-hex-5-enylpyrrolidine is sourced from PubChem (CID 592536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).