4-(4-benzyliminobutyl)-N,N-dimethylaniline

C19H24N2 — CID 71281782

IUPAC4-(4-benzyliminobutyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CCC/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2/c1-21(2)19-13-11-17(12-14-19)8-6-7-15-20-16-18-9-4-3-5-10-18/h3-5,9-15H,6-8,16H2,1-2H3/b20-15+
InChIKeyUHFTWTDVZUXVOS-HMMYKYKNSA-N
MW280.41 g/mol
LogP4.35
Rot. Bonds7

About 4-(4-benzyliminobutyl)-N,N-dimethylaniline

4-(4-benzyliminobutyl)-N,N-dimethylaniline (PubChem CID 71281782) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(4-benzyliminobutyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4-benzyliminobutyl)-N,N-dimethylaniline
PubChem CID71281782
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name4-(4-benzyliminobutyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CCC/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2/c1-21(2)19-13-11-17(12-14-19)8-6-7-15-20-16-18-9-4-3-5-10-18/h3-5,9-15H,6-8,16H2,1-2H3/b20-15+
InChIKeyUHFTWTDVZUXVOS-HMMYKYKNSA-N
XLogP4.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyldecan-1-imine
CID 11276634
N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
N,N-dimethyl-4-(phenyldiazenylmethyl)aniline
CID 91244696
N'-benzyl-N,N-dimethylmethanimidamide
CID 523875
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033131
4-heptyl-N,N-dimethylaniline
CID 20777180
4-(5-iminopentyl)-N,N-dimethylaniline
CID 87880589
4-[4-[1-(3-aminopropyl)pyridin-1-ium-4-yl]butylideneamino]-N,N-dimethylaniline
CID 145155353
1,4-bis(3-phenylpropyl)benzene
CID 59467322
4-(6-bromohexyl)-N,N-dimethylaniline
CID 142754958
N-benzyl-3-methylbutan-1-imine
CID 11457986
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyliminobutyl)-N,N-dimethylaniline?
The IUPAC name of 4-(4-benzyliminobutyl)-N,N-dimethylaniline (CID 71281782) is 4-(4-benzyliminobutyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4-benzyliminobutyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4-benzyliminobutyl)-N,N-dimethylaniline is CN(C)c1ccc(CCC/C=N/Cc2ccccc2)cc1.
What is the InChIKey of 4-(4-benzyliminobutyl)-N,N-dimethylaniline?
The InChIKey is UHFTWTDVZUXVOS-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H24N2/c1-21(2)19-13-11-17(12-14-19)8-6-7-15-20-16-18-9-4-3-5-10-18/h3-5,9-15H,6-8,16H2,1-2H3/b20-15+.
What are the key properties of 4-(4-benzyliminobutyl)-N,N-dimethylaniline?
4-(4-benzyliminobutyl)-N,N-dimethylaniline has a molecular weight of 280.41 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyliminobutyl)-N,N-dimethylaniline is sourced from PubChem (CID 71281782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).