1-(cyclohexyliminomethyl)naphthalen-2-ol

C17H19NO — CID 598370

IUPAC1-(cyclohexyliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/C1CCCCC1
InChIInChI=1S/C17H19NO/c19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-14-7-2-1-3-8-14/h4-6,9-12,14,19H,1-3,7-8H2/b18-12+
InChIKeyBALNFYMIMXPXOU-LDADJPATSA-N
MW253.35 g/mol
LogP4.30
Rot. Bonds2

About 1-(cyclohexyliminomethyl)naphthalen-2-ol

1-(cyclohexyliminomethyl)naphthalen-2-ol (PubChem CID 598370) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(cyclohexyliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(cyclohexyliminomethyl)naphthalen-2-ol
PubChem CID598370
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(cyclohexyliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/C1CCCCC1
InChIInChI=1S/C17H19NO/c19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-14-7-2-1-3-8-14/h4-6,9-12,14,19H,1-3,7-8H2/b18-12+
InChIKeyBALNFYMIMXPXOU-LDADJPATSA-N
XLogP4.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
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-(cyclohexyliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(cyclohexyliminomethyl)naphthalen-2-ol (CID 598370) is 1-(cyclohexyliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(cyclohexyliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(cyclohexyliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/C1CCCCC1.
What is the InChIKey of 1-(cyclohexyliminomethyl)naphthalen-2-ol?
The InChIKey is BALNFYMIMXPXOU-LDADJPATSA-N. The full InChI is InChI=1S/C17H19NO/c19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-14-7-2-1-3-8-14/h4-6,9-12,14,19H,1-3,7-8H2/b18-12+.
What are the key properties of 1-(cyclohexyliminomethyl)naphthalen-2-ol?
1-(cyclohexyliminomethyl)naphthalen-2-ol has a molecular weight of 253.35 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexyliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 598370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).