trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol

C12H18N2O — CID 94415140

IUPACtrans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
SMILESCc1cccc(N[C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C12H18N2O/c1-9-5-4-8-12(13-9)14-10-6-2-3-7-11(10)15/h4-5,8,10-11,15H,2-3,6-7H2,1H3,(H,13,14)/t10-,11-/m0/s1
InChIKeyIEZHPRUVAOAOPM-QWRGUYRKSA-N
MW206.29 g/mol
LogP2.11
Rot. Bonds2

About trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 94415140) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID94415140
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nametrans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
SMILESCc1cccc(N[C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C12H18N2O/c1-9-5-4-8-12(13-9)14-10-6-2-3-7-11(10)15/h4-5,8,10-11,15H,2-3,6-7H2,1H3,(H,13,14)/t10-,11-/m0/s1
InChIKeyIEZHPRUVAOAOPM-QWRGUYRKSA-N
XLogP2.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol (CID 94415140) is trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol is Cc1cccc(N[C@H]2CCCC[C@@H]2O)n1.
What is the InChIKey of trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is IEZHPRUVAOAOPM-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-5-4-8-12(13-9)14-10-6-2-3-7-11(10)15/h4-5,8,10-11,15H,2-3,6-7H2,1H3,(H,13,14)/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(6-methyl-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 94415140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).