N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine

C9H12N2O — CID 71440987

IUPACN-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine
SMILESCN(C)c1cccc(C=NO)c1
InChIInChI=1S/C9H12N2O/c1-11(2)9-5-3-4-8(6-9)7-10-12/h3-7,12H,1-2H3
InChIKeyWSZVCXQOJFYZQZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.56
Rot. Bonds2

About N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine

N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine (PubChem CID 71440987) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine
PubChem CID71440987
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine
SMILESCN(C)c1cccc(C=NO)c1
InChIInChI=1S/C9H12N2O/c1-11(2)9-5-3-4-8(6-9)7-10-12/h3-7,12H,1-2H3
InChIKeyWSZVCXQOJFYZQZ-UHFFFAOYSA-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

(E)-3-[3-(dimethylamino)phenyl]prop-2-enoic acid
CID 18680519
cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol
CID 101116795
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
1-[3-(hydroxyiminomethyl)phenyl]ethanone
CID 139968005
N-benzylidenehydroxylamine;ethane
CID 90698406
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22682067
3-(3-bromoprop-1-enyl)-N,N-dimethylaniline
CID 169475509
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
(NE)-N-[1-[3-(dimethylamino)phenyl]ethylidene]hydroxylamine
CID 118412119
4-[3-(dimethylamino)phenyl]but-3-ene-1-thiol
CID 170478346
3-(dimethylamino)phenol;ethane
CID 174543999

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine (CID 71440987) is N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine is CN(C)c1cccc(C=NO)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine?
The InChIKey is WSZVCXQOJFYZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11(2)9-5-3-4-8(6-9)7-10-12/h3-7,12H,1-2H3.
What are the key properties of N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine?
N-[[3-(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 N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 71440987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).