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

C11H16N2O — CID 93317323

IUPACtrans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCc1ccccn1
InChIInChI=1S/C11H16N2O/c14-11-6-3-5-10(11)13-8-9-4-1-2-7-12-9/h1-2,4,7,10-11,13-14H,3,5-6,8H2/t10-,11-/m0/s1
InChIKeyDKVVRQIPOTVYBU-QWRGUYRKSA-N
MW192.26 g/mol
LogP1.08
Rot. Bonds3

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

trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol (PubChem CID 93317323) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
PubChem CID93317323
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nametrans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCc1ccccn1
InChIInChI=1S/C11H16N2O/c14-11-6-3-5-10(11)13-8-9-4-1-2-7-12-9/h1-2,4,7,10-11,13-14H,3,5-6,8H2/t10-,11-/m0/s1
InChIKeyDKVVRQIPOTVYBU-QWRGUYRKSA-N
XLogP1.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.08
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-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
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-(1R,2R)-2-(pyrazin-2-ylmethylamino)cyclopentan-1-ol
CID 126846554
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
trans-(1S,2S)-2-N-(pyridin-2-ylmethyl)-1-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]cyclohexane-1,2-diamine
CID 59989995
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
N-(pyridin-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726962
N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543889
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol (CID 93317323) is trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1NCc1ccccn1.
What is the InChIKey of trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol?
The InChIKey is DKVVRQIPOTVYBU-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11-6-3-5-10(11)13-8-9-4-1-2-7-12-9/h1-2,4,7,10-11,13-14H,3,5-6,8H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.08, 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-(pyridin-2-ylmethylamino)cyclopentan-1-ol is sourced from PubChem (CID 93317323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).