[4-(oxolan-3-yl)oxan-4-yl]methanamine

C10H19NO2 — CID 126973588

IUPAC[4-(oxolan-3-yl)oxan-4-yl]methanamine
SMILESNCC1(C2CCOC2)CCOCC1
InChIInChI=1S/C10H19NO2/c11-8-10(2-5-12-6-3-10)9-1-4-13-7-9/h9H,1-8,11H2
InChIKeyDDSYABBYUXMEGC-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.78
Rot. Bonds2

About [4-(oxolan-3-yl)oxan-4-yl]methanamine

[4-(oxolan-3-yl)oxan-4-yl]methanamine (PubChem CID 126973588) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [4-(oxolan-3-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(oxolan-3-yl)oxan-4-yl]methanamine
PubChem CID126973588
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[4-(oxolan-3-yl)oxan-4-yl]methanamine
SMILESNCC1(C2CCOC2)CCOCC1
InChIInChI=1S/C10H19NO2/c11-8-10(2-5-12-6-3-10)9-1-4-13-7-9/h9H,1-8,11H2
InChIKeyDDSYABBYUXMEGC-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(oxolan-3-yl)oxan-4-yl]methanamine 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-3-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(oxolan-3-yl)oxan-4-yl]methanamine (CID 126973588) is [4-(oxolan-3-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(oxolan-3-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(oxolan-3-yl)oxan-4-yl]methanamine is NCC1(C2CCOC2)CCOCC1.
What is the InChIKey of [4-(oxolan-3-yl)oxan-4-yl]methanamine?
The InChIKey is DDSYABBYUXMEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-8-10(2-5-12-6-3-10)9-1-4-13-7-9/h9H,1-8,11H2.
What are the key properties of [4-(oxolan-3-yl)oxan-4-yl]methanamine?
[4-(oxolan-3-yl)oxan-4-yl]methanamine has a molecular weight of 185.27 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-3-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 126973588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).