(E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine

C12H15NO — CID 46932960

IUPAC(E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCO/N=C1\CCC(C)c2ccccc21
InChIInChI=1S/C12H15NO/c1-9-7-8-12(13-14-2)11-6-4-3-5-10(9)11/h3-6,9H,7-8H2,1-2H3/b13-12+
InChIKeyDKBAJMNNOBTLPY-OUKQBFOZSA-N
MW189.26 g/mol
LogP2.93
Rot. Bonds1

About (E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine

(E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 46932960) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID46932960
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCO/N=C1\CCC(C)c2ccccc21
InChIInChI=1S/C12H15NO/c1-9-7-8-12(13-14-2)11-6-4-3-5-10(9)11/h3-6,9H,7-8H2,1-2H3/b13-12+
InChIKeyDKBAJMNNOBTLPY-OUKQBFOZSA-N
XLogP2.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.93
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

Benzophenone, O-methyloxime
CID 247342
N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine
CID 2747574
6,7,8,9-Tetrahydro-benzocyclohepten-5-one oxime
CID 5381210
Ethanone, 1,2-diphenyl-, oxime
CID 5355453
1,2,3,4-Tetrahydronaphthalen-1-one oxime
CID 5483123
Dibenzocycloheptenone oxime
CID 15700
(1E)-N-Hydroxy-1-(naphthalen-1-yl)ethanimine
CID 9569633
2,3-dihydro-1H-phenalen-1-one oxime
CID 5413766
CID 225534
CID 225534
N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 76876
5H-Dibenzo(a,d)cyclohepten-5-one oxime
CID 13924
Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, O-methyloxime
CID 9570248

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine (CID 46932960) is (E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine is CO/N=C1\CCC(C)c2ccccc21.
What is the InChIKey of (E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is DKBAJMNNOBTLPY-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-7-8-12(13-14-2)11-6-4-3-5-10(9)11/h3-6,9H,7-8H2,1-2H3/b13-12+.
What are the key properties of (E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine?
(E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 189.26 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 46932960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).