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

C14H29NO — CID 62467786

IUPAC3-(1-heptylpyrrolidin-2-yl)propan-1-ol
SMILESCCCCCCCN1CCCC1CCCO
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-11-15-12-7-9-14(15)10-8-13-16/h14,16H,2-13H2,1H3
InChIKeyQHZDAJHRUHTCJR-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.19
Rot. Bonds9

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

3-(1-heptylpyrrolidin-2-yl)propan-1-ol (PubChem CID 62467786) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(1-heptylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-heptylpyrrolidin-2-yl)propan-1-ol
PubChem CID62467786
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(1-heptylpyrrolidin-2-yl)propan-1-ol
SMILESCCCCCCCN1CCCC1CCCO
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-11-15-12-7-9-14(15)10-8-13-16/h14,16H,2-13H2,1H3
InChIKeyQHZDAJHRUHTCJR-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.19
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-heptylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1-heptylpyrrolidin-2-yl)propan-1-ol (CID 62467786) is 3-(1-heptylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-heptylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-heptylpyrrolidin-2-yl)propan-1-ol is CCCCCCCN1CCCC1CCCO.
What is the InChIKey of 3-(1-heptylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is QHZDAJHRUHTCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-5-6-11-15-12-7-9-14(15)10-8-13-16/h14,16H,2-13H2,1H3.
What are the key properties of 3-(1-heptylpyrrolidin-2-yl)propan-1-ol?
3-(1-heptylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-heptylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 62467786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).