[4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine

C10H20N2O3 — CID 114398546

IUPAC[4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine
SMILESNCC1CN(CC2CCOCO2)CCO1
InChIInChI=1S/C10H20N2O3/c11-5-10-7-12(2-4-14-10)6-9-1-3-13-8-15-9/h9-10H,1-8,11H2
InChIKeyNMSGISRDSGBCFE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.59
Rot. Bonds3

About [4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine

[4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine (PubChem CID 114398546) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is [4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine
PubChem CID114398546
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name[4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine
SMILESNCC1CN(CC2CCOCO2)CCO1
InChIInChI=1S/C10H20N2O3/c11-5-10-7-12(2-4-14-10)6-9-1-3-13-8-15-9/h9-10H,1-8,11H2
InChIKeyNMSGISRDSGBCFE-UHFFFAOYSA-N
XLogP-0.59
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1,3-dioxan-4-ylmethyl)morpholin-2-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-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine (CID 114398546) is [4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine is NCC1CN(CC2CCOCO2)CCO1.
What is the InChIKey of [4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine?
The InChIKey is NMSGISRDSGBCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c11-5-10-7-12(2-4-14-10)6-9-1-3-13-8-15-9/h9-10H,1-8,11H2.
What are the key properties of [4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine?
[4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine has a molecular weight of 216.28 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxan-4-ylmethyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114398546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).