(2S)-2-heptyl-1-prop-2-enylpyrrolidine

C14H27N — CID 134905435

IUPAC(2S)-2-heptyl-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC[C@@H]1CCCCCCC
InChIInChI=1S/C14H27N/c1-3-5-6-7-8-10-14-11-9-13-15(14)12-4-2/h4,14H,2-3,5-13H2,1H3/t14-/m0/s1
InChIKeyYQHPGYHUPBIHBP-AWEZNQCLSA-N
MW209.38 g/mol
LogP4.00
Rot. Bonds8

About (2S)-2-heptyl-1-prop-2-enylpyrrolidine

(2S)-2-heptyl-1-prop-2-enylpyrrolidine (PubChem CID 134905435) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (2S)-2-heptyl-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-heptyl-1-prop-2-enylpyrrolidine
PubChem CID134905435
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(2S)-2-heptyl-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC[C@@H]1CCCCCCC
InChIInChI=1S/C14H27N/c1-3-5-6-7-8-10-14-11-9-13-15(14)12-4-2/h4,14H,2-3,5-13H2,1H3/t14-/m0/s1
InChIKeyYQHPGYHUPBIHBP-AWEZNQCLSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-heptyl-1-prop-2-enylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloropropyl)-1-prop-2-enylpyrrolidine
CID 63388670
1-ethyl-2-hexadecylpiperidine
CID 159279911
2-(1-prop-2-enylpyrrolidin-2-yl)ethanol
CID 117028490
2-butyl-1-dodecylpyrrolidine;formonitrile
CID 175874902
1-methyl-2-tetradecylpyrrolidine
CID 24796983
1-dodecyl-2-ethenylpyrrolidine
CID 5143353
2-butyl-1-hexylpiperidine
CID 171569565
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-(3-chloropropyl)-1-decylpyrrolidine
CID 63388574
2-but-3-enyl-1-propylpyrrolidine
CID 155306373
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
3-butyl-4-prop-2-enylmorpholine
CID 175912707

Frequently Asked Questions

What is the IUPAC name of (2S)-2-heptyl-1-prop-2-enylpyrrolidine?
The IUPAC name of (2S)-2-heptyl-1-prop-2-enylpyrrolidine (CID 134905435) is (2S)-2-heptyl-1-prop-2-enylpyrrolidine.
What is the SMILES notation for (2S)-2-heptyl-1-prop-2-enylpyrrolidine?
The canonical SMILES for (2S)-2-heptyl-1-prop-2-enylpyrrolidine is C=CCN1CCC[C@@H]1CCCCCCC.
What is the InChIKey of (2S)-2-heptyl-1-prop-2-enylpyrrolidine?
The InChIKey is YQHPGYHUPBIHBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H27N/c1-3-5-6-7-8-10-14-11-9-13-15(14)12-4-2/h4,14H,2-3,5-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-heptyl-1-prop-2-enylpyrrolidine?
(2S)-2-heptyl-1-prop-2-enylpyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-heptyl-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 134905435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).