[4-(methylaminomethyl)oxan-4-yl]methanamine

C8H18N2O — CID 115440031

IUPAC[4-(methylaminomethyl)oxan-4-yl]methanamine
SMILESCNCC1(CN)CCOCC1
InChIInChI=1S/C8H18N2O/c1-10-7-8(6-9)2-4-11-5-3-8/h10H,2-7,9H2,1H3
InChIKeyCUSQJIGLESGGRF-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.04
Rot. Bonds3

About [4-(methylaminomethyl)oxan-4-yl]methanamine

[4-(methylaminomethyl)oxan-4-yl]methanamine (PubChem CID 115440031) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is [4-(methylaminomethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(methylaminomethyl)oxan-4-yl]methanamine
PubChem CID115440031
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name[4-(methylaminomethyl)oxan-4-yl]methanamine
SMILESCNCC1(CN)CCOCC1
InChIInChI=1S/C8H18N2O/c1-10-7-8(6-9)2-4-11-5-3-8/h10H,2-7,9H2,1H3
InChIKeyCUSQJIGLESGGRF-UHFFFAOYSA-N
XLogP-0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(methylaminomethyl)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-(methylaminomethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(methylaminomethyl)oxan-4-yl]methanamine (CID 115440031) is [4-(methylaminomethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(methylaminomethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(methylaminomethyl)oxan-4-yl]methanamine is CNCC1(CN)CCOCC1.
What is the InChIKey of [4-(methylaminomethyl)oxan-4-yl]methanamine?
The InChIKey is CUSQJIGLESGGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10-7-8(6-9)2-4-11-5-3-8/h10H,2-7,9H2,1H3.
What are the key properties of [4-(methylaminomethyl)oxan-4-yl]methanamine?
[4-(methylaminomethyl)oxan-4-yl]methanamine has a molecular weight of 158.24 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 115440031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).