2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide

C15H28N3O2+ — CID 11931707

IUPAC2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C15H27N3O2/c1-17(2)15(20)10-16-14(19)11-18-9-5-7-12-6-3-4-8-13(12)18/h12-13H,3-11H2,1-2H3,(H,16,19)/p+1/t12-,13-/m0/s1
InChIKeyYAEPKFRLAKCJAZ-STQMWFEESA-O
MW282.41 g/mol
LogP-0.57
Rot. Bonds4

About 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide

2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide (PubChem CID 11931707) has the molecular formula C15H28N3O2+ and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide
PubChem CID11931707
Molecular FormulaC15H28N3O2+
Molecular Weight282.41 g/mol
Exact Mass282.22
IUPAC Name2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C15H27N3O2/c1-17(2)15(20)10-16-14(19)11-18-9-5-7-12-6-3-4-8-13(12)18/h12-13H,3-11H2,1-2H3,(H,16,19)/p+1/t12-,13-/m0/s1
InChIKeyYAEPKFRLAKCJAZ-STQMWFEESA-O
XLogP-0.57
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[[2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N,N-dimethylacetamide
CID 11932041
methyl 4-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]benzoate
CID 11931113
N-[2-(dimethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 39969864
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide
CID 11931097
2-(2-aminocyclohexyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 62782342
2-(cyclopentylcarbamoylamino)-N,N-dimethylacetamide
CID 38168189
N-cyclohexyl-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 119133075
2-(cyclododecylamino)-N,N-dimethylacetamide
CID 43214559
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-N,N-dimethylacetamide
CID 43224493
N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypropanamide
CID 20719167
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433
2-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889896

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide (CID 11931707) is 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNC(=O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21.
What is the InChIKey of 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide?
The InChIKey is YAEPKFRLAKCJAZ-STQMWFEESA-O. The full InChI is InChI=1S/C15H27N3O2/c1-17(2)15(20)10-16-14(19)11-18-9-5-7-12-6-3-4-8-13(12)18/h12-13H,3-11H2,1-2H3,(H,16,19)/p+1/t12-,13-/m0/s1.
What are the key properties of 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide?
2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 282.41 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 11931707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).