trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol

C15H22N2O — CID 10105984

IUPACtrans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol
SMILESCc1ccc(/C=N/N(C)[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C15H22N2O/c1-12-7-9-13(10-8-12)11-16-17(2)14-5-3-4-6-15(14)18/h7-11,14-15,18H,3-6H2,1-2H3/b16-11+/t14-,15-/m1/s1
InChIKeyLZIOZPRQUVABEI-AJMXMICASA-N
MW246.35 g/mol
LogP2.56
Rot. Bonds3

About trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol

trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol (PubChem CID 10105984) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol
PubChem CID10105984
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Nametrans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol
SMILESCc1ccc(/C=N/N(C)[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C15H22N2O/c1-12-7-9-13(10-8-12)11-16-17(2)14-5-3-4-6-15(14)18/h7-11,14-15,18H,3-6H2,1-2H3/b16-11+/t14-,15-/m1/s1
InChIKeyLZIOZPRQUVABEI-AJMXMICASA-N
XLogP2.56
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.56
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

trans-2-(Benzylidenamino)-cyclohexanol
CID 15737537
trans-(1R,2R)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 10422222
(1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol
CID 12776695
trans-(1R,2R)-2-[benzyl-[(E)-(4-fluorophenyl)methylideneamino]amino]cyclohexan-1-ol
CID 9996491
trans-(1R,2R)-2-[benzyl-[(E)-(3-fluorophenyl)methylideneamino]amino]cyclohexan-1-ol
CID 10245831
trans-(1R,2R)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol
CID 10357433
trans-(1R,2R)-2-[[(E)-(3-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 11776888
trans-(1S,2S)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 177408903
(2R)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]butan-1-ol
CID 177546998
trans-(1S,2S)-2-[methyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol
CID 177567725
trans-(1S,2S)-2-[[(E)-(3-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 177614381
trans-(1R,2R)-2-[[(E)-(4-chlorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 10378275

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol (CID 10105984) is trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol is Cc1ccc(/C=N/N(C)[C@@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol?
The InChIKey is LZIOZPRQUVABEI-AJMXMICASA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-7-9-13(10-8-12)11-16-17(2)14-5-3-4-6-15(14)18/h7-11,14-15,18H,3-6H2,1-2H3/b16-11+/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.56, 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-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]cyclohexan-1-ol is sourced from PubChem (CID 10105984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).