4-methanehydrazonoyl-N,N-dimethylaniline

C9H13N3 — CID 2731449

IUPAC4-methanehydrazonoyl-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=NN)cc1
InChIInChI=1S/C9H13N3/c1-12(2)9-5-3-8(4-6-9)7-11-10/h3-7H,10H2,1-2H3
InChIKeyXMEOVXDIXDRWLH-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.05
Rot. Bonds2

About 4-methanehydrazonoyl-N,N-dimethylaniline

4-methanehydrazonoyl-N,N-dimethylaniline (PubChem CID 2731449) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-methanehydrazonoyl-N,N-dimethylaniline.

Molecular Properties

Compound Name4-methanehydrazonoyl-N,N-dimethylaniline
PubChem CID2731449
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-methanehydrazonoyl-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=NN)cc1
InChIInChI=1S/C9H13N3/c1-12(2)9-5-3-8(4-6-9)7-11-10/h3-7H,10H2,1-2H3
InChIKeyXMEOVXDIXDRWLH-UHFFFAOYSA-N
XLogP1.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl-p-toluidine
CID 7471
Solvent Yellow 34
CID 10298
C.I. Basic Yellow 2
CID 17170
Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, hydrochloride (1:1)
CID 80679
p-(Dimethylamino)cinnamonitrile
CID 5374281
N,N-Dimethyl-alpha-(3,4-xylylimino)-P-toluidine
CID 691368
4-Diethylaminobenzaldoxime (mixture of isomers)
CID 6876690
N,N-diethyl-p-toluidine
CID 69177
p-(Dimethylamino)benzaldehyde oxime
CID 6861449
Benzaldehyde, 4-(diethylamino)-, 2,2-diphenylhydrazone
CID 92377
4-(Aminomethyl)-N,N-dimethylaniline
CID 80826
4-(Dimethylamino)benzaldehyde ((4-(dimethylamino)phenyl)methylene)hydrazone
CID 6863007

Frequently Asked Questions

What is the IUPAC name of 4-methanehydrazonoyl-N,N-dimethylaniline?
The IUPAC name of 4-methanehydrazonoyl-N,N-dimethylaniline (CID 2731449) is 4-methanehydrazonoyl-N,N-dimethylaniline.
What is the SMILES notation for 4-methanehydrazonoyl-N,N-dimethylaniline?
The canonical SMILES for 4-methanehydrazonoyl-N,N-dimethylaniline is CN(C)c1ccc(C=NN)cc1.
What is the InChIKey of 4-methanehydrazonoyl-N,N-dimethylaniline?
The InChIKey is XMEOVXDIXDRWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12(2)9-5-3-8(4-6-9)7-11-10/h3-7H,10H2,1-2H3.
What are the key properties of 4-methanehydrazonoyl-N,N-dimethylaniline?
4-methanehydrazonoyl-N,N-dimethylaniline has a molecular weight of 163.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanehydrazonoyl-N,N-dimethylaniline is sourced from PubChem (CID 2731449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).