4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol

C17H24N2O2 — CID 123409629

IUPAC4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
SMILESC=NOc1ccc(NC2CCCC3CCCCC32O)cc1
InChIInChI=1S/C17H24N2O2/c1-18-21-15-10-8-14(9-11-15)19-16-7-4-6-13-5-2-3-12-17(13,16)20/h8-11,13,16,19-20H,1-7,12H2
InChIKeyQAUAZYJOVQYHMU-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.57
Rot. Bonds4

About 4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol

4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol (PubChem CID 123409629) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
PubChem CID123409629
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
SMILESC=NOc1ccc(NC2CCCC3CCCCC32O)cc1
InChIInChI=1S/C17H24N2O2/c1-18-21-15-10-8-14(9-11-15)19-16-7-4-6-13-5-2-3-12-17(13,16)20/h8-11,13,16,19-20H,1-7,12H2
InChIKeyQAUAZYJOVQYHMU-UHFFFAOYSA-N
XLogP3.57
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The IUPAC name of 4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol (CID 123409629) is 4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for 4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The canonical SMILES for 4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol is C=NOc1ccc(NC2CCCC3CCCCC32O)cc1.
What is the InChIKey of 4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The InChIKey is QAUAZYJOVQYHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-21-15-10-8-14(9-11-15)19-16-7-4-6-13-5-2-3-12-17(13,16)20/h8-11,13,16,19-20H,1-7,12H2.
What are the key properties of 4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol has a molecular weight of 288.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylideneamino)oxyanilino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 123409629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).