trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol

C13H20N2O — CID 102731505

IUPACtrans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol
SMILESC[C@@H](N[C@H]1CCCC[C@@H]1O)c1ccccn1
InChIInChI=1S/C13H20N2O/c1-10(11-6-4-5-9-14-11)15-12-7-2-3-8-13(12)16/h4-6,9-10,12-13,15-16H,2-3,7-8H2,1H3/t10-,12+,13+/m1/s1
InChIKeyGSBJMSNAVFJQTI-WXHSDQCUSA-N
MW220.32 g/mol
LogP2.04
Rot. Bonds3

About trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol (PubChem CID 102731505) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol
PubChem CID102731505
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Nametrans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol
SMILESC[C@@H](N[C@H]1CCCC[C@@H]1O)c1ccccn1
InChIInChI=1S/C13H20N2O/c1-10(11-6-4-5-9-14-11)15-12-7-2-3-8-13(12)16/h4-6,9-10,12-13,15-16H,2-3,7-8H2,1H3/t10-,12+,13+/m1/s1
InChIKeyGSBJMSNAVFJQTI-WXHSDQCUSA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
2-(aminomethyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402190
2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol
CID 113394642
2-(1-pyridin-2-ylethylamino)cyclopentane-1-carbonitrile
CID 62741303
2,3-dimethyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
CID 64908416
N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81401806
2-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclopentan-1-ol
CID 115891343
2,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402338
N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195052
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol (CID 102731505) is trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol is C[C@@H](N[C@H]1CCCC[C@@H]1O)c1ccccn1.
What is the InChIKey of trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol?
The InChIKey is GSBJMSNAVFJQTI-WXHSDQCUSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(11-6-4-5-9-14-11)15-12-7-2-3-8-13(12)16/h4-6,9-10,12-13,15-16H,2-3,7-8H2,1H3/t10-,12+,13+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102731505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).