trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol

C12H18N2O — CID 102733105

IUPACtrans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
SMILESCC(N[C@H]1CCC[C@@H]1O)c1cccnc1
InChIInChI=1S/C12H18N2O/c1-9(10-4-3-7-13-8-10)14-11-5-2-6-12(11)15/h3-4,7-9,11-12,14-15H,2,5-6H2,1H3/t9?,11-,12-/m0/s1
InChIKeySGTDUXLPQXUDRF-WEBCLNCGSA-N
MW206.29 g/mol
LogP1.65
Rot. Bonds3

About trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol (PubChem CID 102733105) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
PubChem CID102733105
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nametrans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
SMILESCC(N[C@H]1CCC[C@@H]1O)c1cccnc1
InChIInChI=1S/C12H18N2O/c1-9(10-4-3-7-13-8-10)14-11-5-2-6-12(11)15/h3-4,7-9,11-12,14-15H,2,5-6H2,1H3/t9?,11-,12-/m0/s1
InChIKeySGTDUXLPQXUDRF-WEBCLNCGSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
2-ethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclopentan-1-amine
CID 104865522
2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 60713516
trans-(1R,2R)-2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 102733108
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
2-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 81407298
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
2-imidazol-1-yl-N-(1-pyridin-3-ylethyl)cyclopentan-1-amine
CID 43734409
2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine
CID 102671440

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol (CID 102733105) is trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol is CC(N[C@H]1CCC[C@@H]1O)c1cccnc1.
What is the InChIKey of trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol?
The InChIKey is SGTDUXLPQXUDRF-WEBCLNCGSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(10-4-3-7-13-8-10)14-11-5-2-6-12(11)15/h3-4,7-9,11-12,14-15H,2,5-6H2,1H3/t9?,11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.65, 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-(1-pyridin-3-ylethylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).