2-hexyl-1-methylpyrrolidine

C11H23N — CID 558512

IUPAC2-hexyl-1-methylpyrrolidine
SMILESCCCCCCC1CCCN1C
InChIInChI=1S/C11H23N/c1-3-4-5-6-8-11-9-7-10-12(11)2/h11H,3-10H2,1-2H3
InChIKeyHKDFTJVSTOUWDV-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.05
Rot. Bonds5

About 2-hexyl-1-methylpyrrolidine

2-hexyl-1-methylpyrrolidine (PubChem CID 558512) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-hexyl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-hexyl-1-methylpyrrolidine
PubChem CID558512
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-hexyl-1-methylpyrrolidine
SMILESCCCCCCC1CCCN1C
InChIInChI=1S/C11H23N/c1-3-4-5-6-8-11-9-7-10-12(11)2/h11H,3-10H2,1-2H3
InChIKeyHKDFTJVSTOUWDV-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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 2-hexyl-1-methylpyrrolidine?
The IUPAC name of 2-hexyl-1-methylpyrrolidine (CID 558512) is 2-hexyl-1-methylpyrrolidine.
What is the SMILES notation for 2-hexyl-1-methylpyrrolidine?
The canonical SMILES for 2-hexyl-1-methylpyrrolidine is CCCCCCC1CCCN1C.
What is the InChIKey of 2-hexyl-1-methylpyrrolidine?
The InChIKey is HKDFTJVSTOUWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-3-4-5-6-8-11-9-7-10-12(11)2/h11H,3-10H2,1-2H3.
What are the key properties of 2-hexyl-1-methylpyrrolidine?
2-hexyl-1-methylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-methylpyrrolidine is sourced from PubChem (CID 558512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).