N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine

C23H20N2 — CID 78597360

IUPACN-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine
SMILESc1ccc(C(=NN=C2CCCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C23H20N2/c1-3-11-19(12-4-1)23(20-13-5-2-6-14-20)25-24-22-17-9-15-18-10-7-8-16-21(18)22/h1-8,10-14,16H,9,15,17H2
InChIKeyUSGQVGGPYYCLOK-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.26
Rot. Bonds3

About N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine

N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 78597360) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID78597360
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC NameN-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine
SMILESc1ccc(C(=NN=C2CCCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C23H20N2/c1-3-11-19(12-4-1)23(20-13-5-2-6-14-20)25-24-22-17-9-15-18-10-7-8-16-21(18)22/h1-8,10-14,16H,9,15,17H2
InChIKeyUSGQVGGPYYCLOK-UHFFFAOYSA-N
XLogP5.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(Z)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3,4-dihydro-2H-naphthalen-1-imine
CID 6156898
1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine
CID 4075236
2-(2,3-dihydroinden-1-ylideneamino)guanidine
CID 639266
(E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine
CID 134846318
(E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine
CID 11057088
N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-imine;N-(benzhydrylideneamino)-1-phenylpropan-1-imine;7-chloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)quinolin-4-amine;7-chloro-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]quinolin-4-amine
CID 173306770
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
(5S)-2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135878056
(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135601079
4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid
CID 9013002
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxy-2-phenylacetamide
CID 2851357
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine (CID 78597360) is N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine is c1ccc(C(=NN=C2CCCc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is USGQVGGPYYCLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-3-11-19(12-4-1)23(20-13-5-2-6-14-20)25-24-22-17-9-15-18-10-7-8-16-21(18)22/h1-8,10-14,16H,9,15,17H2.
What are the key properties of N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine?
N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 324.43 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 78597360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).