3-(methoxymethyl)oxirane-2,2-diamine

C4H10N2O2 — CID 163511879

IUPAC3-(methoxymethyl)oxirane-2,2-diamine
SMILESCOCC1OC1(N)N
InChIInChI=1S/C4H10N2O2/c1-7-2-3-4(5,6)8-3/h3H,2,5-6H2,1H3
InChIKeyDDJGKPNGHBGZAV-UHFFFAOYSA-N
MW118.14 g/mol
LogP-1.40
Rot. Bonds2

About 3-(methoxymethyl)oxirane-2,2-diamine

3-(methoxymethyl)oxirane-2,2-diamine (PubChem CID 163511879) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 3-(methoxymethyl)oxirane-2,2-diamine.

Molecular Properties

Compound Name3-(methoxymethyl)oxirane-2,2-diamine
PubChem CID163511879
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name3-(methoxymethyl)oxirane-2,2-diamine
SMILESCOCC1OC1(N)N
InChIInChI=1S/C4H10N2O2/c1-7-2-3-4(5,6)8-3/h3H,2,5-6H2,1H3
InChIKeyDDJGKPNGHBGZAV-UHFFFAOYSA-N
XLogP-1.40
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethyl)-2,2-dimethyloxirane
CID 12723336
(3,3-diaminooxiran-2-yl)methanol
CID 174366808
2,4,6-tris(methoxymethyl)-1,3,5-trioxane
CID 163692364
(1R,2R,6S,8S,9R)-8-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 11896203
(2R,6R,8R)-8-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134973745
(4R,6R)-6-(methoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 70964585
(5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 155407417
2-[(4R,5R)-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]aniline
CID 163899363
(2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 102020985
trans-(1S,2R)-2-(methoxymethyl)cyclopropan-1-amine
CID 131115476
5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine
CID 22160871
2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 18716202

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)oxirane-2,2-diamine?
The IUPAC name of 3-(methoxymethyl)oxirane-2,2-diamine (CID 163511879) is 3-(methoxymethyl)oxirane-2,2-diamine.
What is the SMILES notation for 3-(methoxymethyl)oxirane-2,2-diamine?
The canonical SMILES for 3-(methoxymethyl)oxirane-2,2-diamine is COCC1OC1(N)N.
What is the InChIKey of 3-(methoxymethyl)oxirane-2,2-diamine?
The InChIKey is DDJGKPNGHBGZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-7-2-3-4(5,6)8-3/h3H,2,5-6H2,1H3.
What are the key properties of 3-(methoxymethyl)oxirane-2,2-diamine?
3-(methoxymethyl)oxirane-2,2-diamine has a molecular weight of 118.14 g/mol, XLogP of -1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)oxirane-2,2-diamine is sourced from PubChem (CID 163511879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).