(E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine

C22H28N2 — CID 168941317

IUPAC(E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine
SMILESCCCc1cccc(C/C=N/N=C/Cc2cccc(CCC)c2)c1
InChIInChI=1S/C22H28N2/c1-3-7-19-9-5-11-21(17-19)13-15-23-24-16-14-22-12-6-10-20(18-22)8-4-2/h5-6,9-12,15-18H,3-4,7-8,13-14H2,1-2H3/b23-15+,24-16+
InChIKeyIBOMXSFKYOIOJI-DFEHQXHXSA-N
MW320.48 g/mol
LogP5.43
Rot. Bonds9

About (E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine

(E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine (PubChem CID 168941317) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine.

Molecular Properties

Compound Name(E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine
PubChem CID168941317
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name(E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine
SMILESCCCc1cccc(C/C=N/N=C/Cc2cccc(CCC)c2)c1
InChIInChI=1S/C22H28N2/c1-3-7-19-9-5-11-21(17-19)13-15-23-24-16-14-22-12-6-10-20(18-22)8-4-2/h5-6,9-12,15-18H,3-4,7-8,13-14H2,1-2H3/b23-15+,24-16+
InChIKeyIBOMXSFKYOIOJI-DFEHQXHXSA-N
XLogP5.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.43
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

1-butyl-3-prop-2-enylbenzene
CID 140596641
1-(3-bromopropyl)-3-propylbenzene
CID 116545899
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545552
1-phenyl-3-propylbenzene
CID 4110465
1-[(Z)-prop-1-enyl]-3-propylbenzene
CID 144823919
1,3-di(tetradecyl)benzene
CID 91053224
1-methoxy-3-propylbenzene
CID 14270128
ethane;3-propylaniline;vanadium
CID 143596420
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
3-propylbenzonitrile
CID 18415311

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine?
The IUPAC name of (E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine (CID 168941317) is (E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine.
What is the SMILES notation for (E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine?
The canonical SMILES for (E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine is CCCc1cccc(C/C=N/N=C/Cc2cccc(CCC)c2)c1.
What is the InChIKey of (E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine?
The InChIKey is IBOMXSFKYOIOJI-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H28N2/c1-3-7-19-9-5-11-21(17-19)13-15-23-24-16-14-22-12-6-10-20(18-22)8-4-2/h5-6,9-12,15-18H,3-4,7-8,13-14H2,1-2H3/b23-15+,24-16+.
What are the key properties of (E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine?
(E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine has a molecular weight of 320.48 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-propylphenyl)-N-[(E)-2-(3-propylphenyl)ethylideneamino]ethanimine is sourced from PubChem (CID 168941317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).