trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol

C19H21NO — CID 118663235

IUPACtrans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c21-18-14-8-7-13-17(18)20-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,21H,7-8,13-14H2/t17-,18-/m0/s1
InChIKeyCCYMIBMYWGQJRD-ROUUACIJSA-N
MW279.38 g/mol
LogP3.83
Rot. Bonds3

About trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol

trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol (PubChem CID 118663235) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol
PubChem CID118663235
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Nametrans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c21-18-14-8-7-13-17(18)20-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,21H,7-8,13-14H2/t17-,18-/m0/s1
InChIKeyCCYMIBMYWGQJRD-ROUUACIJSA-N
XLogP3.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.83
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 trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol (CID 118663235) is trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol?
The InChIKey is CCYMIBMYWGQJRD-ROUUACIJSA-N. The full InChI is InChI=1S/C19H21NO/c21-18-14-8-7-13-17(18)20-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18,21H,7-8,13-14H2/t17-,18-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(benzhydrylideneamino)cyclohexan-1-ol is sourced from PubChem (CID 118663235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).