N-naphthalen-1-yl-4-phenylbutan-2-imine

C20H19N — CID 157374253

IUPACN-naphthalen-1-yl-4-phenylbutan-2-imine
SMILESC/C(CCc1ccccc1)=N\c1cccc2ccccc12
InChIInChI=1S/C20H19N/c1-16(14-15-17-8-3-2-4-9-17)21-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-15H2,1H3/b21-16+
InChIKeyHGUBAEPLUNRVKS-LTGZKZEYSA-N
MW273.38 g/mol
LogP5.57
Rot. Bonds4

About N-naphthalen-1-yl-4-phenylbutan-2-imine

N-naphthalen-1-yl-4-phenylbutan-2-imine (PubChem CID 157374253) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-phenylbutan-2-imine.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-phenylbutan-2-imine
PubChem CID157374253
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN-naphthalen-1-yl-4-phenylbutan-2-imine
SMILESC/C(CCc1ccccc1)=N\c1cccc2ccccc12
InChIInChI=1S/C20H19N/c1-16(14-15-17-8-3-2-4-9-17)21-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-15H2,1H3/b21-16+
InChIKeyHGUBAEPLUNRVKS-LTGZKZEYSA-N
XLogP5.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-naphthalen-1-yl-4-phenylbutan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-4-phenylbutan-2-imine
CID 158891075
N-naphthalen-1-ylpropanimidoyl chloride
CID 134896814
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
N'-methyl-N-(4-phenylbutan-2-ylidene)methanimidamide
CID 89164600
dichloroiron;1-[5-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)furan-2-yl]-N-naphthalen-1-ylethanimine
CID 20701769
N-methyl-N-[(E)-4-phenylbutan-2-ylideneamino]aniline
CID 15442579
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one
CID 8983457
(E)-N-(azepan-1-yl)-4-phenylbutan-2-imine
CID 15442581
(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
CID 135072310
ethyl [(E)-4-phenylbutan-2-ylideneamino] carbonate
CID 15527889
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-phenylbutan-2-imine?
The IUPAC name of N-naphthalen-1-yl-4-phenylbutan-2-imine (CID 157374253) is N-naphthalen-1-yl-4-phenylbutan-2-imine.
What is the SMILES notation for N-naphthalen-1-yl-4-phenylbutan-2-imine?
The canonical SMILES for N-naphthalen-1-yl-4-phenylbutan-2-imine is C/C(CCc1ccccc1)=N\c1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-4-phenylbutan-2-imine?
The InChIKey is HGUBAEPLUNRVKS-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H19N/c1-16(14-15-17-8-3-2-4-9-17)21-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-15H2,1H3/b21-16+.
What are the key properties of N-naphthalen-1-yl-4-phenylbutan-2-imine?
N-naphthalen-1-yl-4-phenylbutan-2-imine has a molecular weight of 273.38 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-phenylbutan-2-imine is sourced from PubChem (CID 157374253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).