2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane

C12H22N4O3 — CID 144751242

IUPAC2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane
SMILESCN(N)C=O.CN(N)c1ccccc1C=O.COC
InChIInChI=1S/C8H10N2O.C2H6N2O.C2H6O/c1-10(9)8-5-3-2-4-7(8)6-11;1-4(3)2-5;1-3-2/h2-6H,9H2,1H3;2H,3H2,1H3;1-2H3
InChIKeyROQRPHJBTAHELY-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.02
Rot. Bonds3

About 2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane

2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane (PubChem CID 144751242) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane.

Molecular Properties

Compound Name2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane
PubChem CID144751242
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane
SMILESCN(N)C=O.CN(N)c1ccccc1C=O.COC
InChIInChI=1S/C8H10N2O.C2H6N2O.C2H6O/c1-10(9)8-5-3-2-4-7(8)6-11;1-4(3)2-5;1-3-2/h2-6H,9H2,1H3;2H,3H2,1H3;1-2H3
InChIKeyROQRPHJBTAHELY-UHFFFAOYSA-N
XLogP0.02
TPSA101.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[amino(methyl)amino]-2-hydroxybenzaldehyde
CID 143076774
N-amino-N-methylformamide;1-(2-ethyl-3-methylphenyl)-1-methylhydrazine
CID 144780729
2-[bis(trimethylsilyl)amino]benzaldehyde
CID 88850673
methyl (E)-4-(2-formyl-N-[(E)-4-methoxy-4-oxobut-2-enyl]anilino)but-2-enoate
CID 11255574
N-(2-formylphenyl)-N-hydroxyacetamide
CID 130024852
2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
CID 61415174
2-formylbenzoic acid;methoxymethane
CID 90858085
2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde
CID 54021623
3-(diethylamino)-2-methylbenzaldehyde
CID 88960180
2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde
CID 55005178
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-methylperoxybenzaldehyde
CID 23505479

Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane?
The IUPAC name of 2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane (CID 144751242) is 2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane.
What is the SMILES notation for 2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane?
The canonical SMILES for 2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane is CN(N)C=O.CN(N)c1ccccc1C=O.COC.
What is the InChIKey of 2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane?
The InChIKey is ROQRPHJBTAHELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C2H6N2O.C2H6O/c1-10(9)8-5-3-2-4-7(8)6-11;1-4(3)2-5;1-3-2/h2-6H,9H2,1H3;2H,3H2,1H3;1-2H3.
What are the key properties of 2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane?
2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane has a molecular weight of 270.33 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]benzaldehyde;N-amino-N-methylformamide;methoxymethane is sourced from PubChem (CID 144751242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).