N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide

C12H22N2O — CID 6558760

IUPACN-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C)[C@H]2CCCC[C@@H]12
InChIInChI=1S/C12H22N2O/c1-9(15)13-11-7-8-14(2)12-6-4-3-5-10(11)12/h10-12H,3-8H2,1-2H3,(H,13,15)/t10-,11+,12-/m0/s1
InChIKeyNEJWOOYTADGXMH-TUAOUCFPSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds1

About N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide

N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide (PubChem CID 6558760) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide
PubChem CID6558760
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C)[C@H]2CCCC[C@@H]12
InChIInChI=1S/C12H22N2O/c1-9(15)13-11-7-8-14(2)12-6-4-3-5-10(11)12/h10-12H,3-8H2,1-2H3,(H,13,15)/t10-,11+,12-/m0/s1
InChIKeyNEJWOOYTADGXMH-TUAOUCFPSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide 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 N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide (CID 6558760) is N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide is CC(=O)N[C@@H]1CCN(C)[C@H]2CCCC[C@@H]12.
What is the InChIKey of N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide?
The InChIKey is NEJWOOYTADGXMH-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(15)13-11-7-8-14(2)12-6-4-3-5-10(11)12/h10-12H,3-8H2,1-2H3,(H,13,15)/t10-,11+,12-/m0/s1.
What are the key properties of N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide?
N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide has a molecular weight of 210.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 6558760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).