3-(1-hexylpyrrolidin-2-yl)propan-1-ol

C13H27NO — CID 62466737

IUPAC3-(1-hexylpyrrolidin-2-yl)propan-1-ol
SMILESCCCCCCN1CCCC1CCCO
InChIInChI=1S/C13H27NO/c1-2-3-4-5-10-14-11-6-8-13(14)9-7-12-15/h13,15H,2-12H2,1H3
InChIKeyCCRWIOQOZRFIBR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.80
Rot. Bonds8

About 3-(1-hexylpyrrolidin-2-yl)propan-1-ol

3-(1-hexylpyrrolidin-2-yl)propan-1-ol (PubChem CID 62466737) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(1-hexylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-hexylpyrrolidin-2-yl)propan-1-ol
PubChem CID62466737
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(1-hexylpyrrolidin-2-yl)propan-1-ol
SMILESCCCCCCN1CCCC1CCCO
InChIInChI=1S/C13H27NO/c1-2-3-4-5-10-14-11-6-8-13(14)9-7-12-15/h13,15H,2-12H2,1H3
InChIKeyCCRWIOQOZRFIBR-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(1-hexylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1-hexylpyrrolidin-2-yl)propan-1-ol (CID 62466737) is 3-(1-hexylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-hexylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-hexylpyrrolidin-2-yl)propan-1-ol is CCCCCCN1CCCC1CCCO.
What is the InChIKey of 3-(1-hexylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is CCRWIOQOZRFIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-4-5-10-14-11-6-8-13(14)9-7-12-15/h13,15H,2-12H2,1H3.
What are the key properties of 3-(1-hexylpyrrolidin-2-yl)propan-1-ol?
3-(1-hexylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hexylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 62466737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).