5-(oxolan-2-yl)pentan-1-amine

C9H19NO — CID 58527505

IUPAC5-(oxolan-2-yl)pentan-1-amine
SMILESNCCCCCC1CCCO1
InChIInChI=1S/C9H19NO/c10-7-3-1-2-5-9-6-4-8-11-9/h9H,1-8,10H2
InChIKeyGPZITMYIKCGBPQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.68
Rot. Bonds5

About 5-(oxolan-2-yl)pentan-1-amine

5-(oxolan-2-yl)pentan-1-amine (PubChem CID 58527505) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-(oxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(oxolan-2-yl)pentan-1-amine
PubChem CID58527505
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-(oxolan-2-yl)pentan-1-amine
SMILESNCCCCCC1CCCO1
InChIInChI=1S/C9H19NO/c10-7-3-1-2-5-9-6-4-8-11-9/h9H,1-8,10H2
InChIKeyGPZITMYIKCGBPQ-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(oxolan-2-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)pentan-1-amine?
The IUPAC name of 5-(oxolan-2-yl)pentan-1-amine (CID 58527505) is 5-(oxolan-2-yl)pentan-1-amine.
What is the SMILES notation for 5-(oxolan-2-yl)pentan-1-amine?
The canonical SMILES for 5-(oxolan-2-yl)pentan-1-amine is NCCCCCC1CCCO1.
What is the InChIKey of 5-(oxolan-2-yl)pentan-1-amine?
The InChIKey is GPZITMYIKCGBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c10-7-3-1-2-5-9-6-4-8-11-9/h9H,1-8,10H2.
What are the key properties of 5-(oxolan-2-yl)pentan-1-amine?
5-(oxolan-2-yl)pentan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 58527505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).