4-(oxolan-2-yl)butan-1-amine

C8H17NO — CID 22407280

IUPAC4-(oxolan-2-yl)butan-1-amine
SMILESNCCCCC1CCCO1
InChIInChI=1S/C8H17NO/c9-6-2-1-4-8-5-3-7-10-8/h8H,1-7,9H2
InChIKeyWZXMXJLBCUNKJB-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds4

About 4-(oxolan-2-yl)butan-1-amine

4-(oxolan-2-yl)butan-1-amine (PubChem CID 22407280) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)butan-1-amine
PubChem CID22407280
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-(oxolan-2-yl)butan-1-amine
SMILESNCCCCC1CCCO1
InChIInChI=1S/C8H17NO/c9-6-2-1-4-8-5-3-7-10-8/h8H,1-7,9H2
InChIKeyWZXMXJLBCUNKJB-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(oxolan-2-yl)butan-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 4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 4-(oxolan-2-yl)butan-1-amine (CID 22407280) is 4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 4-(oxolan-2-yl)butan-1-amine is NCCCCC1CCCO1.
What is the InChIKey of 4-(oxolan-2-yl)butan-1-amine?
The InChIKey is WZXMXJLBCUNKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c9-6-2-1-4-8-5-3-7-10-8/h8H,1-7,9H2.
What are the key properties of 4-(oxolan-2-yl)butan-1-amine?
4-(oxolan-2-yl)butan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 22407280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).