4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine

C29H31N3 — CID 67919479

IUPAC4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(N(CCc2cccc3ccccc23)N=Cc2ccccc2)cc1
InChIInChI=1S/C29H31N3/c1-3-31(4-2)27-17-19-28(20-18-27)32(30-23-24-11-6-5-7-12-24)22-21-26-15-10-14-25-13-8-9-16-29(25)26/h5-20,23H,3-4,21-22H2,1-2H3
InChIKeyUPNBNOUWPKPBFX-UHFFFAOYSA-N
MW421.59 g/mol
LogP6.77
Rot. Bonds9

About 4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine

4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine (PubChem CID 67919479) has the molecular formula C29H31N3 and a molecular weight of 421.59 g/mol. Its IUPAC name is 4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine
PubChem CID67919479
Molecular FormulaC29H31N3
Molecular Weight421.59 g/mol
Exact Mass421.25
IUPAC Name4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(N(CCc2cccc3ccccc23)N=Cc2ccccc2)cc1
InChIInChI=1S/C29H31N3/c1-3-31(4-2)27-17-19-28(20-18-27)32(30-23-24-11-6-5-7-12-24)22-21-26-15-10-14-25-13-8-9-16-29(25)26/h5-20,23H,3-4,21-22H2,1-2H3
InChIKeyUPNBNOUWPKPBFX-UHFFFAOYSA-N
XLogP6.77
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
CID 87966041
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine
CID 70389248
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
N-(2-naphthalen-1-ylethyl)-1-phenylmethanimine
CID 154126259
N-[(E)-(4-fluorophenyl)methylideneamino]-N-methyl-1-naphthalen-1-ylmethanamine
CID 6478463
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854
N-methyl-1-naphthalen-1-yl-N-[(E)-[4-(2-phenylpropan-2-yl)phenyl]methylideneamino]methanamine
CID 6478470
1-ethylnaphthalene;pyrene
CID 174849884
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine
CID 70841410
N,N-diethyl-4-(2-naphthalen-1-ylethynyl)aniline
CID 118606008
N,N-diethylaniline
CID 7061

Frequently Asked Questions

What is the IUPAC name of 4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine (CID 67919479) is 4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine is CCN(CC)c1ccc(N(CCc2cccc3ccccc23)N=Cc2ccccc2)cc1.
What is the InChIKey of 4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine?
The InChIKey is UPNBNOUWPKPBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3/c1-3-31(4-2)27-17-19-28(20-18-27)32(30-23-24-11-6-5-7-12-24)22-21-26-15-10-14-25-13-8-9-16-29(25)26/h5-20,23H,3-4,21-22H2,1-2H3.
What are the key properties of 4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine?
4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine has a molecular weight of 421.59 g/mol, XLogP of 6.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 67919479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).