3-butyl-1-hexylpyrrolidine

C14H29N — CID 171570679

IUPAC3-butyl-1-hexylpyrrolidine
SMILESCCCCCCN1CCC(CCCC)C1
InChIInChI=1S/C14H29N/c1-3-5-7-8-11-15-12-10-14(13-15)9-6-4-2/h14H,3-13H2,1-2H3
InChIKeyNPFALTXGPSMUQI-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.08
Rot. Bonds8

About 3-butyl-1-hexylpyrrolidine

3-butyl-1-hexylpyrrolidine (PubChem CID 171570679) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-butyl-1-hexylpyrrolidine.

Molecular Properties

Compound Name3-butyl-1-hexylpyrrolidine
PubChem CID171570679
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-butyl-1-hexylpyrrolidine
SMILESCCCCCCN1CCC(CCCC)C1
InChIInChI=1S/C14H29N/c1-3-5-7-8-11-15-12-10-14(13-15)9-6-4-2/h14H,3-13H2,1-2H3
InChIKeyNPFALTXGPSMUQI-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.08
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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Related Compounds

3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915
3-butyl-1-dodecylpiperidine
CID 171569666
4-butyl-1-octylpiperidine
CID 171570418
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
1,3-di(tridecyl)piperidine
CID 162511834
3-butyl-1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 175584167
4-butyl-1-heptylpiperidine;formonitrile
CID 175849547
3-butyl-1-pentylpiperidine;formonitrile
CID 175874905
methanesulfonic acid;3-propyl-1-undecylpyrrolidine
CID 175583715
1-hexyl-3-(2-methylpropyl)pyrrolidine
CID 169242044

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-hexylpyrrolidine?
The IUPAC name of 3-butyl-1-hexylpyrrolidine (CID 171570679) is 3-butyl-1-hexylpyrrolidine.
What is the SMILES notation for 3-butyl-1-hexylpyrrolidine?
The canonical SMILES for 3-butyl-1-hexylpyrrolidine is CCCCCCN1CCC(CCCC)C1.
What is the InChIKey of 3-butyl-1-hexylpyrrolidine?
The InChIKey is NPFALTXGPSMUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-3-5-7-8-11-15-12-10-14(13-15)9-6-4-2/h14H,3-13H2,1-2H3.
What are the key properties of 3-butyl-1-hexylpyrrolidine?
3-butyl-1-hexylpyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-hexylpyrrolidine is sourced from PubChem (CID 171570679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).