1,3-dioxan-4-amine

C4H9NO2 — CID 154377452

IUPAC1,3-dioxan-4-amine
SMILESNC1CCOCO1
InChIInChI=1S/C4H9NO2/c5-4-1-2-6-3-7-4/h4H,1-3,5H2
InChIKeyPGLSMHNIYIIHAQ-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.33
Rot. Bonds

About 1,3-dioxan-4-amine

1,3-dioxan-4-amine (PubChem CID 154377452) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 1,3-dioxan-4-amine.

Molecular Properties

Compound Name1,3-dioxan-4-amine
PubChem CID154377452
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name1,3-dioxan-4-amine
SMILESNC1CCOCO1
InChIInChI=1S/C4H9NO2/c5-4-1-2-6-3-7-4/h4H,1-3,5H2
InChIKeyPGLSMHNIYIIHAQ-UHFFFAOYSA-N
XLogP-0.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxan-4-amine?
The IUPAC name of 1,3-dioxan-4-amine (CID 154377452) is 1,3-dioxan-4-amine.
What is the SMILES notation for 1,3-dioxan-4-amine?
The canonical SMILES for 1,3-dioxan-4-amine is NC1CCOCO1.
What is the InChIKey of 1,3-dioxan-4-amine?
The InChIKey is PGLSMHNIYIIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c5-4-1-2-6-3-7-4/h4H,1-3,5H2.
What are the key properties of 1,3-dioxan-4-amine?
1,3-dioxan-4-amine has a molecular weight of 103.12 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxan-4-amine is sourced from PubChem (CID 154377452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).