(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine

C16H18N4O — CID 135538380

IUPAC(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H18N4O/c1-12(19-21)13-4-6-14(7-5-13)17-18-15-8-10-16(11-9-15)20(2)3/h4-11,21H,1-3H3/b18-17+,19-12+
InChIKeyPAYHQBXWKKHYKV-FHUUTLRSSA-N
MW282.35 g/mol
LogP4.37
Rot. Bonds4

About (NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine (PubChem CID 135538380) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
PubChem CID135538380
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H18N4O/c1-12(19-21)13-4-6-14(7-5-13)17-18-15-8-10-16(11-9-15)20(2)3/h4-11,21H,1-3H3/b18-17+,19-12+
InChIKeyPAYHQBXWKKHYKV-FHUUTLRSSA-N
XLogP4.37
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
CID 59751506
4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
(NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine
CID 118412119
N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
CID 145427736
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
CID 39846636
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide
CID 139481264
4-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,2,3-triol
CID 136714423
4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
CID 9592

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine (CID 135538380) is (NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine?
The InChIKey is PAYHQBXWKKHYKV-FHUUTLRSSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(19-21)13-4-6-14(7-5-13)17-18-15-8-10-16(11-9-15)20(2)3/h4-11,21H,1-3H3/b18-17+,19-12+.
What are the key properties of (NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine has a molecular weight of 282.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 135538380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).