cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine

C11H16N2 — CID 96630031

IUPACcis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@H]1Cc1ccccn1
InChIInChI=1S/C11H16N2/c12-11-6-3-4-9(11)8-10-5-1-2-7-13-10/h1-2,5,7,9,11H,3-4,6,8,12H2/t9-,11+/m0/s1
InChIKeyIOCKHCWEKLAZAB-GXSJLCMTSA-N
MW176.26 g/mol
LogP1.75
Rot. Bonds2

About cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine

cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine (PubChem CID 96630031) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
PubChem CID96630031
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Namecis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@H]1Cc1ccccn1
InChIInChI=1S/C11H16N2/c12-11-6-3-4-9(11)8-10-5-1-2-7-13-10/h1-2,5,7,9,11H,3-4,6,8,12H2/t9-,11+/m0/s1
InChIKeyIOCKHCWEKLAZAB-GXSJLCMTSA-N
XLogP1.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethyl)pyridine
CID 14762660
2-methyl-N-[[2-(pyridin-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81028060
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81027779
2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine
CID 7047988
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine
CID 18541294
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 106483279
4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol
CID 79421992
1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine
CID 70873996
(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
CID 89235530
2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 83484853
[(1S,2S)-2-aminocyclopentyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 124510940

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine (CID 96630031) is cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine is N[C@@H]1CCC[C@H]1Cc1ccccn1.
What is the InChIKey of cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is IOCKHCWEKLAZAB-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H16N2/c12-11-6-3-4-9(11)8-10-5-1-2-7-13-10/h1-2,5,7,9,11H,3-4,6,8,12H2/t9-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine?
cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 176.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 96630031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).