1-heptylpyrrolidine

C11H23N — CID 66835347

IUPAC1-heptylpyrrolidine
SMILESCCCCCCCN1CCCC1
InChIInChI=1S/C11H23N/c1-2-3-4-5-6-9-12-10-7-8-11-12/h2-11H2,1H3
InChIKeyWSEWTECTHIPONL-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds6

About 1-heptylpyrrolidine

1-heptylpyrrolidine (PubChem CID 66835347) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-heptylpyrrolidine.

Molecular Properties

Compound Name1-heptylpyrrolidine
PubChem CID66835347
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-heptylpyrrolidine
SMILESCCCCCCCN1CCCC1
InChIInChI=1S/C11H23N/c1-2-3-4-5-6-9-12-10-7-8-11-12/h2-11H2,1H3
InChIKeyWSEWTECTHIPONL-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.05
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-heptylpyrrolidine?
The IUPAC name of 1-heptylpyrrolidine (CID 66835347) is 1-heptylpyrrolidine.
What is the SMILES notation for 1-heptylpyrrolidine?
The canonical SMILES for 1-heptylpyrrolidine is CCCCCCCN1CCCC1.
What is the InChIKey of 1-heptylpyrrolidine?
The InChIKey is WSEWTECTHIPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-2-3-4-5-6-9-12-10-7-8-11-12/h2-11H2,1H3.
What are the key properties of 1-heptylpyrrolidine?
1-heptylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylpyrrolidine is sourced from PubChem (CID 66835347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).