1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen

C4H12N2O — CID 157365988

IUPAC1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen
SMILESC=C(NC)NOC.[H][H]
InChIInChI=1S/C4H10N2O.H2/c1-4(5-2)6-7-3;/h5-6H,1H2,2-3H3;1H
InChIKeyBJELVACGWUMREN-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.07
Rot. Bonds3

About 1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen

1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen (PubChem CID 157365988) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen.

Molecular Properties

Compound Name1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen
PubChem CID157365988
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen
SMILESC=C(NC)NOC.[H][H]
InChIInChI=1S/C4H10N2O.H2/c1-4(5-2)6-7-3;/h5-6H,1H2,2-3H3;1H
InChIKeyBJELVACGWUMREN-UHFFFAOYSA-N
XLogP0.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-N-methylethenamine
CID 22975960
CID 123399689
CID 123399689
2-(methoxyamino)prop-2-enoic acid
CID 56613319
1-N,1-N',2-N-trimethoxy-1-silylprop-2-ene-1,1,2-triamine
CID 173071554
(1E)-1-N'-methylbuta-1,3-diene-1,1,2,3-tetramine
CID 89386289
2-methoxy-3-methylbut-1-ene;molecular hydrogen
CID 159874902
1-N'-tert-butyl-1-N-methylethene-1,1-diamine
CID 88940438
1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine
CID 171644644
N-methoxy-4-methylpent-4-enamide
CID 135084610
methylhydrazine;2-methylprop-1-ene
CID 142046477
1-methoxyethenethiolate
CID 134871761
1-chloro-1-methoxyethene
CID 20553412

Frequently Asked Questions

What is the IUPAC name of 1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen?
The IUPAC name of 1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen (CID 157365988) is 1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen.
What is the SMILES notation for 1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen?
The canonical SMILES for 1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen is C=C(NC)NOC.[H][H].
What is the InChIKey of 1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen?
The InChIKey is BJELVACGWUMREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O.H2/c1-4(5-2)6-7-3;/h5-6H,1H2,2-3H3;1H.
What are the key properties of 1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen?
1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen has a molecular weight of 104.15 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methoxy-1-N-methylethene-1,1-diamine;molecular hydrogen is sourced from PubChem (CID 157365988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).