(4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal

C16H25N3O — CID 126595892

IUPAC(4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal
SMILESCCN(CC)c1ccc(/C(=N/NC)C(C)CC=O)cc1
InChIInChI=1S/C16H25N3O/c1-5-19(6-2)15-9-7-14(8-10-15)16(18-17-4)13(3)11-12-20/h7-10,12-13,17H,5-6,11H2,1-4H3/b18-16+
InChIKeyPSOSAGSABVHABT-FBMGVBCBSA-N
MW275.40 g/mol
LogP2.68
Rot. Bonds8

About (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal

(4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal (PubChem CID 126595892) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal.

Molecular Properties

Compound Name(4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal
PubChem CID126595892
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal
SMILESCCN(CC)c1ccc(/C(=N/NC)C(C)CC=O)cc1
InChIInChI=1S/C16H25N3O/c1-5-19(6-2)15-9-7-14(8-10-15)16(18-17-4)13(3)11-12-20/h7-10,12-13,17H,5-6,11H2,1-4H3/b18-16+
InChIKeyPSOSAGSABVHABT-FBMGVBCBSA-N
XLogP2.68
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(diethylamino)phenyl]butanal
CID 117313265
N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide
CID 146577248
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
(2E,4E,6R)-7-[4-(diethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
CID 87254425
4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide
CID 7929117
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 43241212
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal?
The IUPAC name of (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal (CID 126595892) is (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal.
What is the SMILES notation for (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal?
The canonical SMILES for (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal is CCN(CC)c1ccc(/C(=N/NC)C(C)CC=O)cc1.
What is the InChIKey of (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal?
The InChIKey is PSOSAGSABVHABT-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-19(6-2)15-9-7-14(8-10-15)16(18-17-4)13(3)11-12-20/h7-10,12-13,17H,5-6,11H2,1-4H3/b18-16+.
What are the key properties of (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal?
(4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal has a molecular weight of 275.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal is sourced from PubChem (CID 126595892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).