2-(oxan-4-yl)oxolan-3-amine

C9H17NO2 — CID 79365317

IUPAC2-(oxan-4-yl)oxolan-3-amine
SMILESNC1CCOC1C1CCOCC1
InChIInChI=1S/C9H17NO2/c10-8-3-6-12-9(8)7-1-4-11-5-2-7/h7-9H,1-6,10H2
InChIKeyGLAHMDMKKCYKGD-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.53
Rot. Bonds1

About 2-(oxan-4-yl)oxolan-3-amine

2-(oxan-4-yl)oxolan-3-amine (PubChem CID 79365317) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(oxan-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name2-(oxan-4-yl)oxolan-3-amine
PubChem CID79365317
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(oxan-4-yl)oxolan-3-amine
SMILESNC1CCOC1C1CCOCC1
InChIInChI=1S/C9H17NO2/c10-8-3-6-12-9(8)7-1-4-11-5-2-7/h7-9H,1-6,10H2
InChIKeyGLAHMDMKKCYKGD-UHFFFAOYSA-N
XLogP0.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-yl)oxolan-3-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 2-(oxan-4-yl)oxolan-3-amine?
The IUPAC name of 2-(oxan-4-yl)oxolan-3-amine (CID 79365317) is 2-(oxan-4-yl)oxolan-3-amine.
What is the SMILES notation for 2-(oxan-4-yl)oxolan-3-amine?
The canonical SMILES for 2-(oxan-4-yl)oxolan-3-amine is NC1CCOC1C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)oxolan-3-amine?
The InChIKey is GLAHMDMKKCYKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-8-3-6-12-9(8)7-1-4-11-5-2-7/h7-9H,1-6,10H2.
What are the key properties of 2-(oxan-4-yl)oxolan-3-amine?
2-(oxan-4-yl)oxolan-3-amine has a molecular weight of 171.24 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)oxolan-3-amine is sourced from PubChem (CID 79365317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).