trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol

C14H20N2O — CID 10421471

IUPACtrans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol
SMILESCN(/N=C/c1ccccc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H20N2O/c1-16(13-9-5-6-10-14(13)17)15-11-12-7-3-2-4-8-12/h2-4,7-8,11,13-14,17H,5-6,9-10H2,1H3/b15-11+/t13-,14-/m1/s1
InChIKeyQKYUIXQEBRVCEZ-XPPKJQKXSA-N
MW232.33 g/mol
LogP2.26
Rot. Bonds3

About trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol (PubChem CID 10421471) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol
PubChem CID10421471
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nametrans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol
SMILESCN(/N=C/c1ccccc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H20N2O/c1-16(13-9-5-6-10-14(13)17)15-11-12-7-3-2-4-8-12/h2-4,7-8,11,13-14,17H,5-6,9-10H2,1H3/b15-11+/t13-,14-/m1/s1
InChIKeyQKYUIXQEBRVCEZ-XPPKJQKXSA-N
XLogP2.26
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

(1R)-2-(benzylideneamino)cyclohexan-1-ol
CID 67149914
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol
CID 166439438
2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol
CID 102636673
3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 102632745
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
trans-(1R,2R)-2-(N-ethylanilino)cycloheptan-1-ol
CID 10681161
trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
CID 100955701
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 102634188
2-[methyl(pyridazin-3-yl)amino]cyclohexan-1-ol
CID 102636109

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol (CID 10421471) is trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol is CN(/N=C/c1ccccc1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol?
The InChIKey is QKYUIXQEBRVCEZ-XPPKJQKXSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(13-9-5-6-10-14(13)17)15-11-12-7-3-2-4-8-12/h2-4,7-8,11,13-14,17H,5-6,9-10H2,1H3/b15-11+/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 10421471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).