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

C17H23NO — CID 134964844

IUPAC(E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESCO/N=C1\CCCc2cccc(/C=C/CC(C)C)c21
InChIInChI=1S/C17H23NO/c1-13(2)7-4-8-14-9-5-10-15-11-6-12-16(17(14)15)18-19-3/h4-5,8-10,13H,6-7,11-12H2,1-3H3/b8-4+,18-16+
InChIKeyGWKLNTKFPOQABI-XFAAWEBYSA-N
MW257.38 g/mol
LogP4.43
Rot. Bonds4

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

(E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 134964844) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID134964844
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESCO/N=C1\CCCc2cccc(/C=C/CC(C)C)c21
InChIInChI=1S/C17H23NO/c1-13(2)7-4-8-14-9-5-10-15-11-6-12-16(17(14)15)18-19-3/h4-5,8-10,13H,6-7,11-12H2,1-3H3/b8-4+,18-16+
InChIKeyGWKLNTKFPOQABI-XFAAWEBYSA-N
XLogP4.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.43
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

N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine
CID 2747574
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
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-[(4aS)-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-ylidene]hydroxylamine
CID 44310975
N-[4-(4-octylphenyl)cyclohexylidene]hydroxylamine
CID 57401005
Ethanone, 1-(2-naphthalenyl)-, oxime, (Z)-
CID 5358481
Chalcone meox-1
CID 21677382
1-(2-Naphthalenyl)ethanone oxime
CID 318566

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine (CID 134964844) is (E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine is CO/N=C1\CCCc2cccc(/C=C/CC(C)C)c21.
What is the InChIKey of (E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is GWKLNTKFPOQABI-XFAAWEBYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)7-4-8-14-9-5-10-15-11-6-12-16(17(14)15)18-19-3/h4-5,8-10,13H,6-7,11-12H2,1-3H3/b8-4+,18-16+.
What are the key properties of (E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine?
(E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 257.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-8-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 134964844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).