5-(aziridin-1-yl)pentan-1-ol

C7H15NO — CID 544696

IUPAC5-(aziridin-1-yl)pentan-1-ol
SMILESOCCCCCN1CC1
InChIInChI=1S/C7H15NO/c9-7-3-1-2-4-8-5-6-8/h9H,1-7H2
InChIKeyINQBCTPWWYPRRU-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds5

About 5-(aziridin-1-yl)pentan-1-ol

5-(aziridin-1-yl)pentan-1-ol (PubChem CID 544696) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 5-(aziridin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(aziridin-1-yl)pentan-1-ol
PubChem CID544696
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name5-(aziridin-1-yl)pentan-1-ol
SMILESOCCCCCN1CC1
InChIInChI=1S/C7H15NO/c9-7-3-1-2-4-8-5-6-8/h9H,1-7H2
InChIKeyINQBCTPWWYPRRU-UHFFFAOYSA-N
XLogP0.46
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aziridin-1-yl)pentan-1-ol?
The IUPAC name of 5-(aziridin-1-yl)pentan-1-ol (CID 544696) is 5-(aziridin-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(aziridin-1-yl)pentan-1-ol?
The canonical SMILES for 5-(aziridin-1-yl)pentan-1-ol is OCCCCCN1CC1.
What is the InChIKey of 5-(aziridin-1-yl)pentan-1-ol?
The InChIKey is INQBCTPWWYPRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c9-7-3-1-2-4-8-5-6-8/h9H,1-7H2.
What are the key properties of 5-(aziridin-1-yl)pentan-1-ol?
5-(aziridin-1-yl)pentan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aziridin-1-yl)pentan-1-ol is sourced from PubChem (CID 544696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).