4-(1-heptylpyrrolidin-3-yl)butan-1-ol

C15H31NO — CID 139315248

IUPAC4-(1-heptylpyrrolidin-3-yl)butan-1-ol
SMILESCCCCCCCN1CCC(CCCCO)C1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-7-11-16-12-10-15(14-16)9-6-8-13-17/h15,17H,2-14H2,1H3
InChIKeyJCVUIMFGPTXYCE-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds10

About 4-(1-heptylpyrrolidin-3-yl)butan-1-ol

4-(1-heptylpyrrolidin-3-yl)butan-1-ol (PubChem CID 139315248) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-(1-heptylpyrrolidin-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1-heptylpyrrolidin-3-yl)butan-1-ol
PubChem CID139315248
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-(1-heptylpyrrolidin-3-yl)butan-1-ol
SMILESCCCCCCCN1CCC(CCCCO)C1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-7-11-16-12-10-15(14-16)9-6-8-13-17/h15,17H,2-14H2,1H3
InChIKeyJCVUIMFGPTXYCE-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
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 4-(1-heptylpyrrolidin-3-yl)butan-1-ol?
The IUPAC name of 4-(1-heptylpyrrolidin-3-yl)butan-1-ol (CID 139315248) is 4-(1-heptylpyrrolidin-3-yl)butan-1-ol.
What is the SMILES notation for 4-(1-heptylpyrrolidin-3-yl)butan-1-ol?
The canonical SMILES for 4-(1-heptylpyrrolidin-3-yl)butan-1-ol is CCCCCCCN1CCC(CCCCO)C1.
What is the InChIKey of 4-(1-heptylpyrrolidin-3-yl)butan-1-ol?
The InChIKey is JCVUIMFGPTXYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-7-11-16-12-10-15(14-16)9-6-8-13-17/h15,17H,2-14H2,1H3.
What are the key properties of 4-(1-heptylpyrrolidin-3-yl)butan-1-ol?
4-(1-heptylpyrrolidin-3-yl)butan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-heptylpyrrolidin-3-yl)butan-1-ol is sourced from PubChem (CID 139315248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).