N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine

C12H18N2O2 — CID 6376974

IUPACN-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine
SMILESCOC(OC)/C(=N/N(C)C)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-14(2)13-11(12(15-3)16-4)10-8-6-5-7-9-10/h5-9,12H,1-4H3/b13-11+
InChIKeyVTZVILPRFZFJKX-ACCUITESSA-N
MW222.29 g/mol
LogP1.57
Rot. Bonds5

About N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine

N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine (PubChem CID 6376974) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine
PubChem CID6376974
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine
SMILESCOC(OC)/C(=N/N(C)C)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-14(2)13-11(12(15-3)16-4)10-8-6-5-7-9-10/h5-9,12H,1-4H3/b13-11+
InChIKeyVTZVILPRFZFJKX-ACCUITESSA-N
XLogP1.57
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
CID 138963203
2-(dimethylhydrazinylidene)-1,2-diphenylethanone
CID 73182544
methyl (2E)-2-(dimethylhydrazinylidene)-4-oxo-4-phenylbutanoate
CID 23273307
(2Z)-2-methoxyimino-1,2-diphenylethanol
CID 10922703
N-[(2-methoxy-1,2-diphenylethylidene)amino]aniline
CID 555323
(3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane
CID 168921913
[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea
CID 135898797
2-hydroxyimino-2-phenylacetonitrile;methyl cyanate
CID 173433302
N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine
CID 155675021
N-methyl-N-[[2-[methyl(phenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]aniline
CID 4287495
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
3-bromo-2-methoxy-1-phenylpropan-1-one
CID 14063307

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine (CID 6376974) is N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine is COC(OC)/C(=N/N(C)C)c1ccccc1.
What is the InChIKey of N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine?
The InChIKey is VTZVILPRFZFJKX-ACCUITESSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(2)13-11(12(15-3)16-4)10-8-6-5-7-9-10/h5-9,12H,1-4H3/b13-11+.
What are the key properties of N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine?
N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine has a molecular weight of 222.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine is sourced from PubChem (CID 6376974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).