(NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine

C10H14N2O — CID 118412119

IUPAC(NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cccc(N(C)C)c1
InChIInChI=1S/C10H14N2O/c1-8(11-13)9-5-4-6-10(7-9)12(2)3/h4-7,13H,1-3H3/b11-8+
InChIKeyJUYITWPMPSRGMM-DHZHZOJOSA-N
MW178.23 g/mol
LogP1.95
Rot. Bonds2

About (NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine (PubChem CID 118412119) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine
PubChem CID118412119
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cccc(N(C)C)c1
InChIInChI=1S/C10H14N2O/c1-8(11-13)9-5-4-6-10(7-9)12(2)3/h4-7,13H,1-3H3/b11-8+
InChIKeyJUYITWPMPSRGMM-DHZHZOJOSA-N
XLogP1.95
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.95
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

bis[3-(dimethylamino)phenyl]methanone
CID 14534104
methyl (Z)-2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-N-methylanilino]-3-methoxyprop-2-enoate
CID 173287508
3-(1-aminoethenyl)-N,N-dimethylaniline
CID 163229020
1-[3-(dimethylamino)phenyl]prop-2-en-1-one
CID 19375664
3-(dimethylamino)-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046838
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
N-amino-3-(dimethylamino)-N'-methylbenzenecarboximidamide
CID 61362479
(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine
CID 24701950
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
(NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine
CID 135746727
(NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine
CID 71620020
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
CID 55102085

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine (CID 118412119) is (NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1cccc(N(C)C)c1.
What is the InChIKey of (NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine?
The InChIKey is JUYITWPMPSRGMM-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(11-13)9-5-4-6-10(7-9)12(2)3/h4-7,13H,1-3H3/b11-8+.
What are the key properties of (NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine has a molecular weight of 178.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 118412119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).