(E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine

C17H23NO — CID 134964908

IUPAC(E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESCCCC/C=C/c1cccc2c1/C(=N/OC)CCC2
InChIInChI=1S/C17H23NO/c1-3-4-5-6-9-14-10-7-11-15-12-8-13-16(17(14)15)18-19-2/h6-7,9-11H,3-5,8,12-13H2,1-2H3/b9-6+,18-16+
InChIKeyXTCSNMMNHVETTM-KLSKLXQRSA-N
MW257.38 g/mol
LogP4.58
Rot. Bonds5

About (E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine

(E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 134964908) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID134964908
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine
SMILESCCCC/C=C/c1cccc2c1/C(=N/OC)CCC2
InChIInChI=1S/C17H23NO/c1-3-4-5-6-9-14-10-7-11-15-12-8-13-16(17(14)15)18-19-2/h6-7,9-11H,3-5,8,12-13H2,1-2H3/b9-6+,18-16+
InChIKeyXTCSNMMNHVETTM-KLSKLXQRSA-N
XLogP4.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

Benzophenone, O-methyloxime
CID 247342
N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine
CID 2747574
2,3-Dihydro-1H-phenanthren-4-one oxime
CID 9579790
1,2,3,4-Tetrahydronaphthalen-1-one oxime
CID 5483123
(1E)-N-Hydroxy-1-(naphthalen-1-yl)ethanimine
CID 9569633
2,3-dihydro-1H-phenalen-1-one oxime
CID 5413766
(NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine
CID 5354493
N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 76876
3,4-Dihydronaphthalen-1(2H)-one oxime
CID 5355186
1-(Naphthalen-2-yl)ethanone oxime
CID 9561992
(NE)-N-(1-phenanthren-3-ylethylidene)hydroxylamine
CID 9561058
E-1-(2,4,6-trimethylphenyl)ethanone oxime
CID 12228534

Frequently Asked Questions

What is the IUPAC name of (E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine (CID 134964908) is (E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine is CCCC/C=C/c1cccc2c1/C(=N/OC)CCC2.
What is the InChIKey of (E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is XTCSNMMNHVETTM-KLSKLXQRSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-4-5-6-9-14-10-7-11-15-12-8-13-16(17(14)15)18-19-2/h6-7,9-11H,3-5,8,12-13H2,1-2H3/b9-6+,18-16+.
What are the key properties of (E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine?
(E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 257.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[(E)-hex-1-enyl]-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 134964908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).