methylimino(oxo)methane;N-methylmethanamine

C4H10N2O — CID 172719912

IUPACmethylimino(oxo)methane;N-methylmethanamine
SMILESCN=C=O.CNC
InChIInChI=1S/C2H3NO.C2H7N/c1-3-2-4;1-3-2/h1H3;3H,1-2H3
InChIKeyGJDOAMZLAOUAEI-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.21
Rot. Bonds

About methylimino(oxo)methane;N-methylmethanamine

methylimino(oxo)methane;N-methylmethanamine (PubChem CID 172719912) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is methylimino(oxo)methane;N-methylmethanamine.

Molecular Properties

Compound Namemethylimino(oxo)methane;N-methylmethanamine
PubChem CID172719912
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Namemethylimino(oxo)methane;N-methylmethanamine
SMILESCN=C=O.CNC
InChIInChI=1S/C2H3NO.C2H7N/c1-3-2-4;1-3-2/h1H3;3H,1-2H3
InChIKeyGJDOAMZLAOUAEI-UHFFFAOYSA-N
XLogP-0.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

methylcarbamic acid;methylimino(oxo)methane
CID 161055798
N-methylcarbamoyl chloride;methylimino(oxo)methane
CID 162155810
iodoform;methylimino(oxo)methane
CID 123231601
methylimino(oxo)methane;2-methylpropan-2-ol
CID 91600333
methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane
CID 162238586
bis(cyclohexane);isocyanic acid;methane;methylimino(oxo)methane
CID 175397862
methylimino(oxo)methane;naphthalene
CID 161076109
dimethoxy(methyl)silane;methylimino(oxo)methane
CID 159174466
methylimino(oxo)methane;thiolane
CID 174547179
methylimino(oxo)methane;methyl methanesulfonate
CID 87841952
methylimino(oxo)methane;propane-1,2,3-triol
CID 175123227
bicyclo[3.1.0]hexa-1(6),2,4-triene;methylimino(oxo)methane
CID 19913971

Frequently Asked Questions

What is the IUPAC name of methylimino(oxo)methane;N-methylmethanamine?
The IUPAC name of methylimino(oxo)methane;N-methylmethanamine (CID 172719912) is methylimino(oxo)methane;N-methylmethanamine.
What is the SMILES notation for methylimino(oxo)methane;N-methylmethanamine?
The canonical SMILES for methylimino(oxo)methane;N-methylmethanamine is CN=C=O.CNC.
What is the InChIKey of methylimino(oxo)methane;N-methylmethanamine?
The InChIKey is GJDOAMZLAOUAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO.C2H7N/c1-3-2-4;1-3-2/h1H3;3H,1-2H3.
What are the key properties of methylimino(oxo)methane;N-methylmethanamine?
methylimino(oxo)methane;N-methylmethanamine has a molecular weight of 102.14 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylimino(oxo)methane;N-methylmethanamine is sourced from PubChem (CID 172719912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).