N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline

C18H20N4O2 — CID 3300042

IUPACN,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline
SMILESCC(C=Cc1ccc(N(C)C)cc1)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N4O2/c1-14(4-5-15-6-10-17(11-7-15)21(2)3)19-20-16-8-12-18(13-9-16)22(23)24/h4-13,20H,1-3H3
InChIKeyFYMBQEUWHCOCAG-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.16
Rot. Bonds6

About N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline

N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline (PubChem CID 3300042) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline
PubChem CID3300042
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline
SMILESCC(C=Cc1ccc(N(C)C)cc1)=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N4O2/c1-14(4-5-15-6-10-17(11-7-15)21(2)3)19-20-16-8-12-18(13-9-16)22(23)24/h4-13,20H,1-3H3
InChIKeyFYMBQEUWHCOCAG-UHFFFAOYSA-N
XLogP4.16
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-4-methylpent-3-en-2-ylideneamino]-4-nitroaniline
CID 6373786
2-[(E)-1-[4-(dimethylamino)phenyl]-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile
CID 25271394
4-nitro-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]benzenesulfonamide
CID 92522954
N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4-nitrobenzamide
CID 6798224
4-(dimethylamino)benzaldehyde;(4-nitrophenyl)hydrazine
CID 87898824
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
2-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-4-nitrophenolate
CID 7346874
(E)-N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-(4-nitrophenyl)prop-2-enamide
CID 42706267
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
N-(4-nitroanilino)ethanimidoyl cyanide
CID 150448638

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline?
The IUPAC name of N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline (CID 3300042) is N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline is CC(C=Cc1ccc(N(C)C)cc1)=NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline?
The InChIKey is FYMBQEUWHCOCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-14(4-5-15-6-10-17(11-7-15)21(2)3)19-20-16-8-12-18(13-9-16)22(23)24/h4-13,20H,1-3H3.
What are the key properties of N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline?
N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline has a molecular weight of 324.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline is sourced from PubChem (CID 3300042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).