3-cyclohexylimino-1,1-diphenylpropan-1-ol

C21H25NO — CID 154142475

IUPAC3-cyclohexylimino-1,1-diphenylpropan-1-ol
SMILESOC(C/C=N/C1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO/c23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)16-17-22-20-14-8-3-9-15-20/h1-2,4-7,10-13,17,20,23H,3,8-9,14-16H2/b22-17+
InChIKeyJWPAEJXIYGYYEI-OQKWZONESA-N
MW307.44 g/mol
LogP4.72
Rot. Bonds5

About 3-cyclohexylimino-1,1-diphenylpropan-1-ol

3-cyclohexylimino-1,1-diphenylpropan-1-ol (PubChem CID 154142475) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-cyclohexylimino-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-cyclohexylimino-1,1-diphenylpropan-1-ol
PubChem CID154142475
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-cyclohexylimino-1,1-diphenylpropan-1-ol
SMILESOC(C/C=N/C1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO/c23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)16-17-22-20-14-8-3-9-15-20/h1-2,4-7,10-13,17,20,23H,3,8-9,14-16H2/b22-17+
InChIKeyJWPAEJXIYGYYEI-OQKWZONESA-N
XLogP4.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-1,1-diphenylethanol
CID 177391647
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
2-[[(1S,2S)-2-[(2-hydroxy-2,2-diphenylethyl)-methylamino]cyclohexyl]-methylamino]-1,1-diphenylethanol
CID 101490678
N-cyclohexylpropan-1-imine
CID 3489363
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
CID 4068699
5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid
CID 71390062
N,N'-dicyclohexyl-N-phenylmethanimidamide
CID 162716598
1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol
CID 156850348
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
1,1-diphenyl-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 89497125
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine
CID 11983653

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylimino-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-cyclohexylimino-1,1-diphenylpropan-1-ol (CID 154142475) is 3-cyclohexylimino-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-cyclohexylimino-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-cyclohexylimino-1,1-diphenylpropan-1-ol is OC(C/C=N/C1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-cyclohexylimino-1,1-diphenylpropan-1-ol?
The InChIKey is JWPAEJXIYGYYEI-OQKWZONESA-N. The full InChI is InChI=1S/C21H25NO/c23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)16-17-22-20-14-8-3-9-15-20/h1-2,4-7,10-13,17,20,23H,3,8-9,14-16H2/b22-17+.
What are the key properties of 3-cyclohexylimino-1,1-diphenylpropan-1-ol?
3-cyclohexylimino-1,1-diphenylpropan-1-ol has a molecular weight of 307.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylimino-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 154142475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).