(4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride

C12H24Cl2N2O — CID 70473833

IUPAC(4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride
SMILESCCCN1CCC[C@@H]2CC(N)C(=O)C[C@H]21.Cl.Cl
InChIInChI=1S/C12H22N2O.2ClH/c1-2-5-14-6-3-4-9-7-10(13)12(15)8-11(9)14;;/h9-11H,2-8,13H2,1H3;2*1H/t9-,10?,11-;;/m1../s1
InChIKeyNUZDHFIVBIESLF-RXPRAXFHSA-N
MW283.24 g/mol
LogP2.01
Rot. Bonds2

About (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride

(4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride (PubChem CID 70473833) has the molecular formula C12H24Cl2N2O and a molecular weight of 283.24 g/mol. Its IUPAC name is (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride.

Molecular Properties

Compound Name(4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride
PubChem CID70473833
Molecular FormulaC12H24Cl2N2O
Molecular Weight283.24 g/mol
Exact Mass282.13
IUPAC Name(4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride
SMILESCCCN1CCC[C@@H]2CC(N)C(=O)C[C@H]21.Cl.Cl
InChIInChI=1S/C12H22N2O.2ClH/c1-2-5-14-6-3-4-9-7-10(13)12(15)8-11(9)14;;/h9-11H,2-8,13H2,1H3;2*1H/t9-,10?,11-;;/m1../s1
InChIKeyNUZDHFIVBIESLF-RXPRAXFHSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride 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 (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride?
The IUPAC name of (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride (CID 70473833) is (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride.
What is the SMILES notation for (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride?
The canonical SMILES for (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride is CCCN1CCC[C@@H]2CC(N)C(=O)C[C@H]21.Cl.Cl.
What is the InChIKey of (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride?
The InChIKey is NUZDHFIVBIESLF-RXPRAXFHSA-N. The full InChI is InChI=1S/C12H22N2O.2ClH/c1-2-5-14-6-3-4-9-7-10(13)12(15)8-11(9)14;;/h9-11H,2-8,13H2,1H3;2*1H/t9-,10?,11-;;/m1../s1.
What are the key properties of (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride?
(4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride has a molecular weight of 283.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride is sourced from PubChem (CID 70473833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).