trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol

C12H18N2O — CID 93317378

IUPACtrans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCCc1ccccn1
InChIInChI=1S/C12H18N2O/c15-12-6-3-5-11(12)14-9-7-10-4-1-2-8-13-10/h1-2,4,8,11-12,14-15H,3,5-7,9H2/t11-,12-/m0/s1
InChIKeyYKIAQVQRDCNJGG-RYUDHWBXSA-N
MW206.29 g/mol
LogP1.13
Rot. Bonds4

About trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol (PubChem CID 93317378) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol
PubChem CID93317378
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nametrans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCCc1ccccn1
InChIInChI=1S/C12H18N2O/c15-12-6-3-5-11(12)14-9-7-10-4-1-2-8-13-10/h1-2,4,8,11-12,14-15H,3,5-7,9H2/t11-,12-/m0/s1
InChIKeyYKIAQVQRDCNJGG-RYUDHWBXSA-N
XLogP1.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
2,6-dimethyl-N-(2-pyridin-2-ylethyl)piperidin-1-amine
CID 83013889
4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
CID 79724278
3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
CID 63043512
trans-(1R,2R)-2-(2-quinolin-8-ylethylamino)cyclopentan-1-ol
CID 102733860
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
trans-(1R,2R)-2-(pyrazin-2-ylmethylamino)cyclopentan-1-ol
CID 126846554
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 125145010
N-(2-pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43193645

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol (CID 93317378) is trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1NCCc1ccccn1.
What is the InChIKey of trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol?
The InChIKey is YKIAQVQRDCNJGG-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12-6-3-5-11(12)14-9-7-10-4-1-2-8-13-10/h1-2,4,8,11-12,14-15H,3,5-7,9H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol is sourced from PubChem (CID 93317378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).