trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol

C14H16N2O — CID 99857876

IUPACtrans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O/c17-13-7-3-6-12(13)16-14-9-8-10-4-1-2-5-11(10)15-14/h1-2,4-5,8-9,12-13,17H,3,6-7H2,(H,15,16)/t12-,13-/m1/s1
InChIKeyIQAYUXVPACNULT-CHWSQXEVSA-N
MW228.30 g/mol
LogP2.56
Rot. Bonds2

About trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol (PubChem CID 99857876) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol
PubChem CID99857876
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Nametrans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O/c17-13-7-3-6-12(13)16-14-9-8-10-4-1-2-5-11(10)15-14/h1-2,4-5,8-9,12-13,17H,3,6-7H2,(H,15,16)/t12-,13-/m1/s1
InChIKeyIQAYUXVPACNULT-CHWSQXEVSA-N
XLogP2.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(quinolin-2-ylamino)cyclopentane-1-carboxylic acid
CID 64816078
2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile
CID 99857872
1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine
CID 23026816
2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol
CID 63229228
2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
CID 79827031
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide
CID 122438908
3-(quinolin-2-ylamino)piperidin-2-one
CID 62091961
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-2-amine
CID 60631928
(1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine
CID 161047658
2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid
CID 106361777
N-(2-aminocyclopentyl)quinoline-2-carboxamide
CID 63251270

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol (CID 99857876) is trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Nc1ccc2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol?
The InChIKey is IQAYUXVPACNULT-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H16N2O/c17-13-7-3-6-12(13)16-14-9-8-10-4-1-2-5-11(10)15-14/h1-2,4-5,8-9,12-13,17H,3,6-7H2,(H,15,16)/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol has a molecular weight of 228.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 99857876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).