1-octyl-3-propylpyrrolidine;hydrochloride

C15H32ClN — CID 175874915

IUPAC1-octyl-3-propylpyrrolidine;hydrochloride
SMILESCCCCCCCCN1CCC(CCC)C1.Cl
InChIInChI=1S/C15H31N.ClH/c1-3-5-6-7-8-9-12-16-13-11-15(14-16)10-4-2;/h15H,3-14H2,1-2H3;1H
InChIKeyIEBVDMVPTPSAME-UHFFFAOYSA-N
MW261.88 g/mol
LogP4.89
Rot. Bonds9

About 1-octyl-3-propylpyrrolidine;hydrochloride

1-octyl-3-propylpyrrolidine;hydrochloride (PubChem CID 175874915) has the molecular formula C15H32ClN and a molecular weight of 261.88 g/mol. Its IUPAC name is 1-octyl-3-propylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-octyl-3-propylpyrrolidine;hydrochloride
PubChem CID175874915
Molecular FormulaC15H32ClN
Molecular Weight261.88 g/mol
Exact Mass261.22
IUPAC Name1-octyl-3-propylpyrrolidine;hydrochloride
SMILESCCCCCCCCN1CCC(CCC)C1.Cl
InChIInChI=1S/C15H31N.ClH/c1-3-5-6-7-8-9-12-16-13-11-15(14-16)10-4-2;/h15H,3-14H2,1-2H3;1H
InChIKeyIEBVDMVPTPSAME-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.88
LogP ≤ 54.89
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-hexylpyrrolidine
CID 171570679
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
methanesulfonic acid;3-propyl-1-undecylpyrrolidine
CID 175583715
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-dodecylpiperidine
CID 171569666
3-ethyl-1-octylpyrrolidine;1-octyl-3-propylpyrrolidine;bis(trifluoromethanesulfonic acid)
CID 175583602
1-butyl-3-propylpyrrolidine;methanesulfonic acid
CID 175583831
4-butyl-1-octylpiperidine
CID 171570418
1-hexyl-3-(2-methylpropyl)pyrrolidine
CID 169242044
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509

Frequently Asked Questions

What is the IUPAC name of 1-octyl-3-propylpyrrolidine;hydrochloride?
The IUPAC name of 1-octyl-3-propylpyrrolidine;hydrochloride (CID 175874915) is 1-octyl-3-propylpyrrolidine;hydrochloride.
What is the SMILES notation for 1-octyl-3-propylpyrrolidine;hydrochloride?
The canonical SMILES for 1-octyl-3-propylpyrrolidine;hydrochloride is CCCCCCCCN1CCC(CCC)C1.Cl.
What is the InChIKey of 1-octyl-3-propylpyrrolidine;hydrochloride?
The InChIKey is IEBVDMVPTPSAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.ClH/c1-3-5-6-7-8-9-12-16-13-11-15(14-16)10-4-2;/h15H,3-14H2,1-2H3;1H.
What are the key properties of 1-octyl-3-propylpyrrolidine;hydrochloride?
1-octyl-3-propylpyrrolidine;hydrochloride has a molecular weight of 261.88 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-3-propylpyrrolidine;hydrochloride is sourced from PubChem (CID 175874915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).