2-butyl-2-hexylpyrrolidine

C14H29N — CID 174534205

IUPAC2-butyl-2-hexylpyrrolidine
SMILESCCCCCCC1(CCCC)CCCN1
InChIInChI=1S/C14H29N/c1-3-5-7-8-11-14(10-6-4-2)12-9-13-15-14/h15H,3-13H2,1-2H3
InChIKeyCOJLVEWPYPQWCT-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.27
Rot. Bonds8

About 2-butyl-2-hexylpyrrolidine

2-butyl-2-hexylpyrrolidine (PubChem CID 174534205) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-butyl-2-hexylpyrrolidine.

Molecular Properties

Compound Name2-butyl-2-hexylpyrrolidine
PubChem CID174534205
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-butyl-2-hexylpyrrolidine
SMILESCCCCCCC1(CCCC)CCCN1
InChIInChI=1S/C14H29N/c1-3-5-7-8-11-14(10-6-4-2)12-9-13-15-14/h15H,3-13H2,1-2H3
InChIKeyCOJLVEWPYPQWCT-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-butyl-2-hexylpyrrolidine 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-ethyl-2-pentylazepane
CID 79116798
2,2-dipropylpyrrolidine
CID 13332418
2-butyl-2-(2-methylpropyl)pyrrolidine
CID 66467900
2-tert-butyl-2-nonylpyrrolidine
CID 66468101
2-dodecyl-2-propan-2-ylpyrrolidine
CID 66468316
2,2,6,6-tetrabutylpiperidine
CID 22415175
2-ethyl-2-(2-ethylhexyl)pyrrolidine
CID 66468510
2-(3-phenylpropyl)-2-propylpyrrolidine
CID 66467164
4,4-dioctyl-1,3-oxazolidine
CID 66910759
methyl 2-hexylpyrrolidine-2-carboxylate
CID 123305776
2-pent-3-ynyl-2-propylpyrrolidine
CID 104806327
4-octyl-4-propyl-1,3-oxazolidine
CID 66910736

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-hexylpyrrolidine?
The IUPAC name of 2-butyl-2-hexylpyrrolidine (CID 174534205) is 2-butyl-2-hexylpyrrolidine.
What is the SMILES notation for 2-butyl-2-hexylpyrrolidine?
The canonical SMILES for 2-butyl-2-hexylpyrrolidine is CCCCCCC1(CCCC)CCCN1.
What is the InChIKey of 2-butyl-2-hexylpyrrolidine?
The InChIKey is COJLVEWPYPQWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-5-7-8-11-14(10-6-4-2)12-9-13-15-14/h15H,3-13H2,1-2H3.
What are the key properties of 2-butyl-2-hexylpyrrolidine?
2-butyl-2-hexylpyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-hexylpyrrolidine is sourced from PubChem (CID 174534205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).