1-(benzhydrylideneamino)decan-4-ol

C23H31NO — CID 59168728

IUPAC1-(benzhydrylideneamino)decan-4-ol
SMILESCCCCCCC(O)CCCN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-2-3-4-11-17-22(25)18-12-19-24-23(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22,25H,2-4,11-12,17-19H2,1H3
InChIKeyOGVOPBBXLNHEQZ-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.64
Rot. Bonds11

About 1-(benzhydrylideneamino)decan-4-ol

1-(benzhydrylideneamino)decan-4-ol (PubChem CID 59168728) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-(benzhydrylideneamino)decan-4-ol.

Molecular Properties

Compound Name1-(benzhydrylideneamino)decan-4-ol
PubChem CID59168728
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name1-(benzhydrylideneamino)decan-4-ol
SMILESCCCCCCC(O)CCCN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-2-3-4-11-17-22(25)18-12-19-24-23(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22,25H,2-4,11-12,17-19H2,1H3
InChIKeyOGVOPBBXLNHEQZ-UHFFFAOYSA-N
XLogP5.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylideneamino)decan-4-ol?
The IUPAC name of 1-(benzhydrylideneamino)decan-4-ol (CID 59168728) is 1-(benzhydrylideneamino)decan-4-ol.
What is the SMILES notation for 1-(benzhydrylideneamino)decan-4-ol?
The canonical SMILES for 1-(benzhydrylideneamino)decan-4-ol is CCCCCCC(O)CCCN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzhydrylideneamino)decan-4-ol?
The InChIKey is OGVOPBBXLNHEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-3-4-11-17-22(25)18-12-19-24-23(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22,25H,2-4,11-12,17-19H2,1H3.
What are the key properties of 1-(benzhydrylideneamino)decan-4-ol?
1-(benzhydrylideneamino)decan-4-ol has a molecular weight of 337.51 g/mol, XLogP of 5.64, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylideneamino)decan-4-ol is sourced from PubChem (CID 59168728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).