trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol

C12H18N2O — CID 93317480

IUPACtrans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCc1ccccn1
InChIInChI=1S/C12H18N2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h3-5,8,11-12,14-15H,1-2,6-7,9H2/t11-,12-/m1/s1
InChIKeyZQCZBBFXWIQEAE-VXGBXAGGSA-N
MW206.29 g/mol
LogP1.47
Rot. Bonds3

About trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol (PubChem CID 93317480) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
PubChem CID93317480
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nametrans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCc1ccccn1
InChIInChI=1S/C12H18N2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h3-5,8,11-12,14-15H,1-2,6-7,9H2/t11-,12-/m1/s1
InChIKeyZQCZBBFXWIQEAE-VXGBXAGGSA-N
XLogP1.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol
CID 93317378
trans-(1S,2S)-2-N-(pyridin-2-ylmethyl)-1-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]cyclohexane-1,2-diamine
CID 59989995
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
trans-(1R,2R)-2-(pyrazin-2-ylmethylamino)cyclopentan-1-ol
CID 126846554
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
2-piperidin-2-yl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 79545513

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol (CID 93317480) is trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1NCc1ccccn1.
What is the InChIKey of trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol?
The InChIKey is ZQCZBBFXWIQEAE-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h3-5,8,11-12,14-15H,1-2,6-7,9H2/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 93317480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).