N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline

C23H25N3 — CID 110839639

IUPACN-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
SMILESCCN(Cc1ccccc1)c1ccc(C=NNCc2ccccc2)cc1
InChIInChI=1S/C23H25N3/c1-2-26(19-22-11-7-4-8-12-22)23-15-13-21(14-16-23)18-25-24-17-20-9-5-3-6-10-20/h3-16,18,24H,2,17,19H2,1H3
InChIKeyZEODORSQXWKNBV-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.84
Rot. Bonds8

About N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline

N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline (PubChem CID 110839639) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
PubChem CID110839639
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC NameN-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
SMILESCCN(Cc1ccccc1)c1ccc(C=NNCc2ccccc2)cc1
InChIInChI=1S/C23H25N3/c1-2-26(19-22-11-7-4-8-12-22)23-15-13-21(14-16-23)18-25-24-17-20-9-5-3-6-10-20/h3-16,18,24H,2,17,19H2,1H3
InChIKeyZEODORSQXWKNBV-UHFFFAOYSA-N
XLogP4.84
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
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-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine
CID 2394003
[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]thiourea
CID 6902327
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
1-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3-prop-2-enylthiourea
CID 2382134
1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5410280
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-bromobenzenesulfonamide
CID 4237783
N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
CID 134092995
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110530926
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 7966329
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933215

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline?
The IUPAC name of N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline (CID 110839639) is N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline.
What is the SMILES notation for N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline?
The canonical SMILES for N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline is CCN(Cc1ccccc1)c1ccc(C=NNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline?
The InChIKey is ZEODORSQXWKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-2-26(19-22-11-7-4-8-12-22)23-15-13-21(14-16-23)18-25-24-17-20-9-5-3-6-10-20/h3-16,18,24H,2,17,19H2,1H3.
What are the key properties of N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline?
N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline has a molecular weight of 343.47 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline is sourced from PubChem (CID 110839639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).