N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline

C18H23N3 — CID 54333940

IUPACN,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
SMILESCCN(CC)c1ccc(C=NN(C)c2ccccc2)cc1
InChIInChI=1S/C18H23N3/c1-4-21(5-2)18-13-11-16(12-14-18)15-19-20(3)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3
InChIKeyTUCVSIRQWDGUHY-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.00
Rot. Bonds6

About N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline

N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline (PubChem CID 54333940) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
PubChem CID54333940
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
SMILESCCN(CC)c1ccc(C=NN(C)c2ccccc2)cc1
InChIInChI=1S/C18H23N3/c1-4-21(5-2)18-13-11-16(12-14-18)15-19-20(3)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3
InChIKeyTUCVSIRQWDGUHY-UHFFFAOYSA-N
XLogP4.00
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline
CID 90481154
5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135621779
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine
CID 143569035
N-methyl-N-[(E)-[1-[6-[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 23117094
N-methyl-N-[(E)-(1-pentylpyridin-1-ium-4-yl)methylideneamino]aniline
CID 143565582
N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine
CID 73186987
N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline
CID 141421369
N-[(Z)-[4-[[dimethyl(phenyl)silyl]-dimethylsilyl]phenyl]methylideneamino]-N-methylaniline
CID 71119687
N,N-diethylaniline
CID 7061
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
CID 87966041
N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline
CID 143565465

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline?
The IUPAC name of N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline (CID 54333940) is N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline is CCN(CC)c1ccc(C=NN(C)c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline?
The InChIKey is TUCVSIRQWDGUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-4-21(5-2)18-13-11-16(12-14-18)15-19-20(3)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline?
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline has a molecular weight of 281.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline is sourced from PubChem (CID 54333940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).