(NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine

C9H12N2O — CID 6861449

IUPAC(NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine
SMILESCN(C)c1ccc(/C=N/O)cc1
InChIInChI=1S/C9H12N2O/c1-11(2)9-5-3-8(4-6-9)7-10-12/h3-7,12H,1-2H3/b10-7+
InChIKeyUJYKADYTQMVUAG-JXMROGBWSA-N
MW164.21 g/mol
LogP1.56
Rot. Bonds2

About (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine

(NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine (PubChem CID 6861449) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine
PubChem CID6861449
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine
SMILESCN(C)c1ccc(/C=N/O)cc1
InChIInChI=1S/C9H12N2O/c1-11(2)9-5-3-8(4-6-9)7-10-12/h3-7,12H,1-2H3/b10-7+
InChIKeyUJYKADYTQMVUAG-JXMROGBWSA-N
XLogP1.56
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-p-toluidine
CID 7471
N,N-Dimethyl-alpha-(3,4-xylylimino)-P-toluidine
CID 691368
N,N-Dimethyl-4-[(E)-2-nitroethenyl]aniline
CID 774089
4-Diethylaminobenzaldoxime (mixture of isomers)
CID 6876690
N,N-diethyl-p-toluidine
CID 69177
Benzophenone, 4,4'-bis(dimethylamino)-, oxime
CID 15581
4-(Aminomethyl)-N,N-dimethylaniline
CID 80826
4-(Dimethylamino)benzaldehyde ((4-(dimethylamino)phenyl)methylene)hydrazone
CID 6863007
N-[p-(Dimethylamino)benzylidene]aniline
CID 234157
4-(2,4-Cyclopentadien-1-ylidenemethyl)-N,N-dimethylaniline
CID 256312
N,N-Dimethyl-4-((1E)-2-nitro-1-propen-1-yl)benzenamine
CID 2060089
[N4(E)]-N1,N1-Dimethyl-N4-(phenylmethylene)-1,4-benzenediamine
CID 233549

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine (CID 6861449) is (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine is CN(C)c1ccc(/C=N/O)cc1.
What is the InChIKey of (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine?
The InChIKey is UJYKADYTQMVUAG-JXMROGBWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11(2)9-5-3-8(4-6-9)7-10-12/h3-7,12H,1-2H3/b10-7+.
What are the key properties of (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine has a molecular weight of 164.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6861449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).