2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol

C13H20N2O — CID 81404938

IUPAC2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
SMILESC[C@H](NC1CCCCC1O)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-10(11-5-4-8-14-9-11)15-12-6-2-3-7-13(12)16/h4-5,8-10,12-13,15-16H,2-3,6-7H2,1H3/t10-,12?,13?/m0/s1
InChIKeyXEIJMLRVGCRWMA-PKSQDBQZSA-N
MW220.32 g/mol
LogP2.04
Rot. Bonds3

About 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol

2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol (PubChem CID 81404938) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
PubChem CID81404938
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
SMILESC[C@H](NC1CCCCC1O)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-10(11-5-4-8-14-9-11)15-12-6-2-3-7-13(12)16/h4-5,8-10,12-13,15-16H,2-3,6-7H2,1H3/t10-,12?,13?/m0/s1
InChIKeyXEIJMLRVGCRWMA-PKSQDBQZSA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-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-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
CID 102733105
2-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 81407298
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
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
2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine
CID 102671440
1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol
CID 81403977

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol (CID 81404938) is 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol is C[C@H](NC1CCCCC1O)c1cccnc1.
What is the InChIKey of 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol?
The InChIKey is XEIJMLRVGCRWMA-PKSQDBQZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(11-5-4-8-14-9-11)15-12-6-2-3-7-13(12)16/h4-5,8-10,12-13,15-16H,2-3,6-7H2,1H3/t10-,12?,13?/m0/s1.
What are the key properties of 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol?
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 81404938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).