1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine

C25H25NO — CID 155935578

IUPAC1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C(\C)c2ccc3ccccc3c2C2=CCCCC2)cc1
InChIInChI=1S/C25H25NO/c1-18(26-21-13-15-22(27-2)16-14-21)23-17-12-19-8-6-7-11-24(19)25(23)20-9-4-3-5-10-20/h6-9,11-17H,3-5,10H2,1-2H3/b26-18+
InChIKeyWVKMUBSDUSQKAP-NLRVBDNBSA-N
MW355.48 g/mol
LogP6.95
Rot. Bonds4

About 1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine

1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine (PubChem CID 155935578) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine
PubChem CID155935578
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C(\C)c2ccc3ccccc3c2C2=CCCCC2)cc1
InChIInChI=1S/C25H25NO/c1-18(26-21-13-15-22(27-2)16-14-21)23-17-12-19-8-6-7-11-24(19)25(23)20-9-4-3-5-10-20/h6-9,11-17H,3-5,10H2,1-2H3/b26-18+
InChIKeyWVKMUBSDUSQKAP-NLRVBDNBSA-N
XLogP6.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine?
The IUPAC name of 1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine (CID 155935578) is 1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for 1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine?
The canonical SMILES for 1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine is COc1ccc(/N=C(\C)c2ccc3ccccc3c2C2=CCCCC2)cc1.
What is the InChIKey of 1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine?
The InChIKey is WVKMUBSDUSQKAP-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H25NO/c1-18(26-21-13-15-22(27-2)16-14-21)23-17-12-19-8-6-7-11-24(19)25(23)20-9-4-3-5-10-20/h6-9,11-17H,3-5,10H2,1-2H3/b26-18+.
What are the key properties of 1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine?
1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine has a molecular weight of 355.48 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexen-1-yl)naphthalen-2-yl]-N-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 155935578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).