(1R)-2-(benzylideneamino)cyclohexan-1-ol

C13H17NO — CID 67149914

IUPAC(1R)-2-(benzylideneamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCCC1/N=C/c1ccccc1
InChIInChI=1S/C13H17NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,10,12-13,15H,4-5,8-9H2/b14-10+/t12?,13-/m1/s1
InChIKeyDIUMZGBZEYRRFU-NHVLWTOZSA-N
MW203.29 g/mol
LogP2.41
Rot. Bonds2

About (1R)-2-(benzylideneamino)cyclohexan-1-ol

(1R)-2-(benzylideneamino)cyclohexan-1-ol (PubChem CID 67149914) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (1R)-2-(benzylideneamino)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R)-2-(benzylideneamino)cyclohexan-1-ol
PubChem CID67149914
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(1R)-2-(benzylideneamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCCC1/N=C/c1ccccc1
InChIInChI=1S/C13H17NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,10,12-13,15H,4-5,8-9H2/b14-10+/t12?,13-/m1/s1
InChIKeyDIUMZGBZEYRRFU-NHVLWTOZSA-N
XLogP2.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.41
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

bis(1-phenyl-N-[2-(phenylmethylideneamino)cyclohexyl]methanimine);platinum;platinum(2+);hydrochloride
CID 5256300
4-(benzylideneamino)-1,1-dioxothiolan-3-ol
CID 3750205
trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol
CID 10421471
copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11348682
1-(2-phosphanylphenyl)-N-[(1S,2S)-2-[(2-phosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 135032202
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1-phenylmethanimine
CID 71545220
N-benzylidene-N'-cyclohexylbenzenecarboximidamide
CID 102469075
1-(2-diphenylphosphanylphenyl)-N-[(1S,2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]cyclohexyl]methanimine
CID 11332064
5-chloro-2-[[(1S)-2-[(4-chlorophenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135975962

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(benzylideneamino)cyclohexan-1-ol?
The IUPAC name of (1R)-2-(benzylideneamino)cyclohexan-1-ol (CID 67149914) is (1R)-2-(benzylideneamino)cyclohexan-1-ol.
What is the SMILES notation for (1R)-2-(benzylideneamino)cyclohexan-1-ol?
The canonical SMILES for (1R)-2-(benzylideneamino)cyclohexan-1-ol is O[C@@H]1CCCCC1/N=C/c1ccccc1.
What is the InChIKey of (1R)-2-(benzylideneamino)cyclohexan-1-ol?
The InChIKey is DIUMZGBZEYRRFU-NHVLWTOZSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,10,12-13,15H,4-5,8-9H2/b14-10+/t12?,13-/m1/s1.
What are the key properties of (1R)-2-(benzylideneamino)cyclohexan-1-ol?
(1R)-2-(benzylideneamino)cyclohexan-1-ol has a molecular weight of 203.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(benzylideneamino)cyclohexan-1-ol is sourced from PubChem (CID 67149914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).