(2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol

C12H22N2O — CID 69387925

IUPAC(2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol
SMILESNC[C@H](O)CC1CCC2CCCC=C2N1
InChIInChI=1S/C12H22N2O/c13-8-11(15)7-10-6-5-9-3-1-2-4-12(9)14-10/h4,9-11,14-15H,1-3,5-8,13H2/t9?,10?,11-/m1/s1
InChIKeyKKUTUWGDJGTZGW-VQXHTEKXSA-N
MW210.32 g/mol
LogP1.13
Rot. Bonds3

About (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol

(2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol (PubChem CID 69387925) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol
PubChem CID69387925
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol
SMILESNC[C@H](O)CC1CCC2CCCC=C2N1
InChIInChI=1S/C12H22N2O/c13-8-11(15)7-10-6-5-9-3-1-2-4-12(9)14-10/h4,9-11,14-15H,1-3,5-8,13H2/t9?,10?,11-/m1/s1
InChIKeyKKUTUWGDJGTZGW-VQXHTEKXSA-N
XLogP1.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol (CID 69387925) is (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol is NC[C@H](O)CC1CCC2CCCC=C2N1.
What is the InChIKey of (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol?
The InChIKey is KKUTUWGDJGTZGW-VQXHTEKXSA-N. The full InChI is InChI=1S/C12H22N2O/c13-8-11(15)7-10-6-5-9-3-1-2-4-12(9)14-10/h4,9-11,14-15H,1-3,5-8,13H2/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol?
(2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 69387925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).