trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol

C13H20N2O — CID 102734522

IUPACtrans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol
SMILESCCN(Cc1ccncc1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C13H20N2O/c1-2-15(12-4-3-5-13(12)16)10-11-6-8-14-9-7-11/h6-9,12-13,16H,2-5,10H2,1H3/t12-,13-/m1/s1
InChIKeyCVILFEJVHZUCRD-CHWSQXEVSA-N
MW220.32 g/mol
LogP1.82
Rot. Bonds4

About trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol (PubChem CID 102734522) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol
PubChem CID102734522
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Nametrans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol
SMILESCCN(Cc1ccncc1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C13H20N2O/c1-2-15(12-4-3-5-13(12)16)10-11-6-8-14-9-7-11/h6-9,12-13,16H,2-5,10H2,1H3/t12-,13-/m1/s1
InChIKeyCVILFEJVHZUCRD-CHWSQXEVSA-N
XLogP1.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 61451044
1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
CID 79468184
2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64753453
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
CID 146064325
2-[ethyl(furan-2-ylmethyl)amino]cyclohexan-1-ol
CID 61423026
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
2-(dibenzylamino)cyclohexan-1-ol;methanesulfonic acid
CID 86743264
3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 45215887
N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
CID 45236422
3-[ethyl-[(1S,2S)-2-hydroxycyclopentyl]amino]propanenitrile
CID 102734559

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol (CID 102734522) is trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol is CCN(Cc1ccncc1)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol?
The InChIKey is CVILFEJVHZUCRD-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15(12-4-3-5-13(12)16)10-11-6-8-14-9-7-11/h6-9,12-13,16H,2-5,10H2,1H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).