N-(dimethylaminomethylidene)benzamide;ethane

C12H18N2O — CID 90754594

IUPACN-(dimethylaminomethylidene)benzamide;ethane
SMILESCC.CN(C)/C=N/C(=O)c1ccccc1
InChIInChI=1S/C10H12N2O.C2H6/c1-12(2)8-11-10(13)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H3/b11-8+;
InChIKeyNKYVPWQODPHSPQ-YGCVIUNWSA-N
MW206.29 g/mol
LogP2.44
Rot. Bonds2

About N-(dimethylaminomethylidene)benzamide;ethane

N-(dimethylaminomethylidene)benzamide;ethane (PubChem CID 90754594) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)benzamide;ethane.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)benzamide;ethane
PubChem CID90754594
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(dimethylaminomethylidene)benzamide;ethane
SMILESCC.CN(C)/C=N/C(=O)c1ccccc1
InChIInChI=1S/C10H12N2O.C2H6/c1-12(2)8-11-10(13)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H3/b11-8+;
InChIKeyNKYVPWQODPHSPQ-YGCVIUNWSA-N
XLogP2.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(dimethylaminomethylidene)azulene-2-carboxamide
CID 141302363
methyl (NE)-N-[(dimethylaminomethylideneamino)-phenylmethylidene]carbamate
CID 10752103
N-(aminomethylidene)benzamide
CID 55287210
N-[(4-methylphenyl)methylidene]benzamide
CID 4606839
N-(dimethylaminomethylidene)-N'-(4-methylphenyl)benzenecarboximidamide
CID 10912424
4-(dimethylaminomethylidenecarbamoyl)-3-phenyloxadiazol-3-ium-5-olate
CID 13270285
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
N'-(4-bromophenyl)-N-(dimethylaminomethylidene)benzenecarboximidamide
CID 10969561
N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide
CID 3771212
N-[(2-bromophenyl)methylidene]benzamide
CID 135079268
benzoyl isothiocyanate;ethane
CID 90887579
N-(methyliminomethylidene)benzamide
CID 131864232

Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)benzamide;ethane?
The IUPAC name of N-(dimethylaminomethylidene)benzamide;ethane (CID 90754594) is N-(dimethylaminomethylidene)benzamide;ethane.
What is the SMILES notation for N-(dimethylaminomethylidene)benzamide;ethane?
The canonical SMILES for N-(dimethylaminomethylidene)benzamide;ethane is CC.CN(C)/C=N/C(=O)c1ccccc1.
What is the InChIKey of N-(dimethylaminomethylidene)benzamide;ethane?
The InChIKey is NKYVPWQODPHSPQ-YGCVIUNWSA-N. The full InChI is InChI=1S/C10H12N2O.C2H6/c1-12(2)8-11-10(13)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H3/b11-8+;.
What are the key properties of N-(dimethylaminomethylidene)benzamide;ethane?
N-(dimethylaminomethylidene)benzamide;ethane has a molecular weight of 206.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)benzamide;ethane is sourced from PubChem (CID 90754594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).