(2S)-N-methyl-1,4-dioxan-2-amine

C5H11NO2 — CID 161070139

IUPAC(2S)-N-methyl-1,4-dioxan-2-amine
SMILESCN[C@@H]1COCCO1
InChIInChI=1S/C5H11NO2/c1-6-5-4-7-2-3-8-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKeyUENXTWNHCJUNJJ-YFKPBYRVSA-N
MW117.15 g/mol
LogP-0.42
Rot. Bonds1

About (2S)-N-methyl-1,4-dioxan-2-amine

(2S)-N-methyl-1,4-dioxan-2-amine (PubChem CID 161070139) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S)-N-methyl-1,4-dioxan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1,4-dioxan-2-amine
PubChem CID161070139
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S)-N-methyl-1,4-dioxan-2-amine
SMILESCN[C@@H]1COCCO1
InChIInChI=1S/C5H11NO2/c1-6-5-4-7-2-3-8-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKeyUENXTWNHCJUNJJ-YFKPBYRVSA-N
XLogP-0.42
TPSA30.49 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 ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-methyl-1,4-dioxan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5S)-N,5-dimethyl-1,4-dioxan-2-amine
CID 175072652
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
ethane;(2R)-2-methyl-1,4-dioxane
CID 145396958
ethane;2-methyl-1,4-dioxane
CID 91216849
2-prop-1-en-2-yl-1,4-dioxane
CID 178036695
(2-methyloxirane);oxirane
CID 173423277
(3S,4R)-4-(methylamino)oxan-3-ol
CID 68677504
(3R)-N-methyloxan-3-amine
CID 58327948
ethane;2-ethyl-1,4-dioxane
CID 170734415
1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 115825177
2-(ethoxymethyl)-1,4-dioxane
CID 20725722
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1,4-dioxan-2-amine?
The IUPAC name of (2S)-N-methyl-1,4-dioxan-2-amine (CID 161070139) is (2S)-N-methyl-1,4-dioxan-2-amine.
What is the SMILES notation for (2S)-N-methyl-1,4-dioxan-2-amine?
The canonical SMILES for (2S)-N-methyl-1,4-dioxan-2-amine is CN[C@@H]1COCCO1.
What is the InChIKey of (2S)-N-methyl-1,4-dioxan-2-amine?
The InChIKey is UENXTWNHCJUNJJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6-5-4-7-2-3-8-5/h5-6H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-N-methyl-1,4-dioxan-2-amine?
(2S)-N-methyl-1,4-dioxan-2-amine has a molecular weight of 117.15 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1,4-dioxan-2-amine is sourced from PubChem (CID 161070139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).