2-butyl-1-methyl-5-nonylpyrrolidine

C18H37N — CID 587883

IUPAC2-butyl-1-methyl-5-nonylpyrrolidine
SMILESCCCCCCCCCC1CCC(CCCC)N1C
InChIInChI=1S/C18H37N/c1-4-6-8-9-10-11-12-14-18-16-15-17(19(18)3)13-7-5-2/h17-18H,4-16H2,1-3H3
InChIKeyJLCLRGQSIIFLDM-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.78
Rot. Bonds11

About 2-butyl-1-methyl-5-nonylpyrrolidine

2-butyl-1-methyl-5-nonylpyrrolidine (PubChem CID 587883) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-butyl-1-methyl-5-nonylpyrrolidine.

Molecular Properties

Compound Name2-butyl-1-methyl-5-nonylpyrrolidine
PubChem CID587883
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name2-butyl-1-methyl-5-nonylpyrrolidine
SMILESCCCCCCCCCC1CCC(CCCC)N1C
InChIInChI=1S/C18H37N/c1-4-6-8-9-10-11-12-14-18-16-15-17(19(18)3)13-7-5-2/h17-18H,4-16H2,1-3H3
InChIKeyJLCLRGQSIIFLDM-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.78
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-butyl-1-methyl-5-nonylpyrrolidine?
The IUPAC name of 2-butyl-1-methyl-5-nonylpyrrolidine (CID 587883) is 2-butyl-1-methyl-5-nonylpyrrolidine.
What is the SMILES notation for 2-butyl-1-methyl-5-nonylpyrrolidine?
The canonical SMILES for 2-butyl-1-methyl-5-nonylpyrrolidine is CCCCCCCCCC1CCC(CCCC)N1C.
What is the InChIKey of 2-butyl-1-methyl-5-nonylpyrrolidine?
The InChIKey is JLCLRGQSIIFLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-6-8-9-10-11-12-14-18-16-15-17(19(18)3)13-7-5-2/h17-18H,4-16H2,1-3H3.
What are the key properties of 2-butyl-1-methyl-5-nonylpyrrolidine?
2-butyl-1-methyl-5-nonylpyrrolidine has a molecular weight of 267.50 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methyl-5-nonylpyrrolidine is sourced from PubChem (CID 587883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).