1-hexyl-3-(2-methylpropyl)pyrrolidine

C14H29N — CID 169242044

IUPAC1-hexyl-3-(2-methylpropyl)pyrrolidine
SMILESCCCCCCN1CCC(CC(C)C)C1
InChIInChI=1S/C14H29N/c1-4-5-6-7-9-15-10-8-14(12-15)11-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeySYRQNYJJVSKPCT-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds7

About 1-hexyl-3-(2-methylpropyl)pyrrolidine

1-hexyl-3-(2-methylpropyl)pyrrolidine (PubChem CID 169242044) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-hexyl-3-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-hexyl-3-(2-methylpropyl)pyrrolidine
PubChem CID169242044
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-hexyl-3-(2-methylpropyl)pyrrolidine
SMILESCCCCCCN1CCC(CC(C)C)C1
InChIInChI=1S/C14H29N/c1-4-5-6-7-9-15-10-8-14(12-15)11-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeySYRQNYJJVSKPCT-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
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

1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
3-butyl-1-hexylpyrrolidine
CID 171570679
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
1-(1-nonylpyrrolidin-3-yl)ethanamine
CID 113360760
1-decyl-4-propan-2-ylpiperidine
CID 166461232
3-(2-methylpentyl)-1-propylpyrrolidine
CID 123729662
1-hexyl-3-(2-methylpropyl)piperazine
CID 64834623
4-butyl-1-octylpiperidine
CID 171570418

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-hexyl-3-(2-methylpropyl)pyrrolidine (CID 169242044) is 1-hexyl-3-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-hexyl-3-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-hexyl-3-(2-methylpropyl)pyrrolidine is CCCCCCN1CCC(CC(C)C)C1.
What is the InChIKey of 1-hexyl-3-(2-methylpropyl)pyrrolidine?
The InChIKey is SYRQNYJJVSKPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-5-6-7-9-15-10-8-14(12-15)11-13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-hexyl-3-(2-methylpropyl)pyrrolidine?
1-hexyl-3-(2-methylpropyl)pyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 169242044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).