1,3-dioxan-5-ylmethanamine

C5H11NO2 — CID 19104289

IUPAC1,3-dioxan-5-ylmethanamine
SMILESNCC1COCOC1
InChIInChI=1S/C5H11NO2/c6-1-5-2-7-4-8-3-5/h5H,1-4,6H2
InChIKeyJCLLBAQTUYKIGM-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.43
Rot. Bonds1

About 1,3-dioxan-5-ylmethanamine

1,3-dioxan-5-ylmethanamine (PubChem CID 19104289) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1,3-dioxan-5-ylmethanamine.

Molecular Properties

Compound Name1,3-dioxan-5-ylmethanamine
PubChem CID19104289
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1,3-dioxan-5-ylmethanamine
SMILESNCC1COCOC1
InChIInChI=1S/C5H11NO2/c6-1-5-2-7-4-8-3-5/h5H,1-4,6H2
InChIKeyJCLLBAQTUYKIGM-UHFFFAOYSA-N
XLogP-0.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-dioxan-5-ylmethanamine 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 1,3-dioxan-5-ylmethanamine?
The IUPAC name of 1,3-dioxan-5-ylmethanamine (CID 19104289) is 1,3-dioxan-5-ylmethanamine.
What is the SMILES notation for 1,3-dioxan-5-ylmethanamine?
The canonical SMILES for 1,3-dioxan-5-ylmethanamine is NCC1COCOC1.
What is the InChIKey of 1,3-dioxan-5-ylmethanamine?
The InChIKey is JCLLBAQTUYKIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c6-1-5-2-7-4-8-3-5/h5H,1-4,6H2.
What are the key properties of 1,3-dioxan-5-ylmethanamine?
1,3-dioxan-5-ylmethanamine has a molecular weight of 117.15 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxan-5-ylmethanamine is sourced from PubChem (CID 19104289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).