4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane

C18H26N4O — CID 142476509

IUPAC4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane
SMILESCC.CNc1ccc(/C(N)=C/NN)cc1.O=Cc1ccccc1
InChIInChI=1S/C9H14N4.C7H6O.C2H6/c1-12-8-4-2-7(3-5-8)9(10)6-13-11;8-6-7-4-2-1-3-5-7;1-2/h2-6,12-13H,10-11H2,1H3;1-6H;1-2H3/b9-6-;;
InChIKeyDTEIWDYQPLLOMH-MPTFJDTDSA-N
MW314.43 g/mol
LogP2.97
Rot. Bonds4

About 4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane

4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane (PubChem CID 142476509) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane.

Molecular Properties

Compound Name4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane
PubChem CID142476509
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane
SMILESCC.CNc1ccc(/C(N)=C/NN)cc1.O=Cc1ccccc1
InChIInChI=1S/C9H14N4.C7H6O.C2H6/c1-12-8-4-2-7(3-5-8)9(10)6-13-11;8-6-7-4-2-1-3-5-7;1-2/h2-6,12-13H,10-11H2,1H3;1-6H;1-2H3/b9-6-;;
InChIKeyDTEIWDYQPLLOMH-MPTFJDTDSA-N
XLogP2.97
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Shellfish, unspecified
CID 584435
N'-butyl-4-(dimethylamino)benzohydrazide
CID 71306440
4-[Ethyl(phenylmethyl)amino]benzaldehyde
CID 282269
N-[4-(2-Hydrazinylethyl)phenyl]benzamide dihydrochloride salt (12a)
CID 77014300
N-[4-(2-Hydrazinylethyl)phenyl]-2-phenylacetamide dihydrochloride salt (12b)
CID 77014302
3-{[4-(Dimethylamino)phenyl]amino}-1-phenyl-2-propen-1-one
CID 2188632
1-(4-Methylphenyl)-3-[(4-methylphenyl)amino]-2-propen-1-one
CID 2267437
(Z)-3-[4-(dimethylamino)anilino]-1-phenylprop-2-en-1-one
CID 21596112
N-[4-(propylaminocarbamoyl)phenyl]benzamide
CID 155531159
4-(benzylamino)-N'-propylbenzohydrazide
CID 155546691
2-phenyl-N-[4-(propylaminocarbamoyl)phenyl]acetamide
CID 168278676
3-(benzylamino)-N'-hexylbenzohydrazide
CID 168296502

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane?
The IUPAC name of 4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane (CID 142476509) is 4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane.
What is the SMILES notation for 4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane?
The canonical SMILES for 4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane is CC.CNc1ccc(/C(N)=C/NN)cc1.O=Cc1ccccc1.
What is the InChIKey of 4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane?
The InChIKey is DTEIWDYQPLLOMH-MPTFJDTDSA-N. The full InChI is InChI=1S/C9H14N4.C7H6O.C2H6/c1-12-8-4-2-7(3-5-8)9(10)6-13-11;8-6-7-4-2-1-3-5-7;1-2/h2-6,12-13H,10-11H2,1H3;1-6H;1-2H3/b9-6-;;.
What are the key properties of 4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane?
4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane has a molecular weight of 314.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane is sourced from PubChem (CID 142476509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).