2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide

C12H17N3O — CID 81215351

IUPAC2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide
SMILESCN(CC(N)=O)c1ccc2c(c1)NCCC2
InChIInChI=1S/C12H17N3O/c1-15(8-12(13)16)10-5-4-9-3-2-6-14-11(9)7-10/h4-5,7,14H,2-3,6,8H2,1H3,(H2,13,16)
InChIKeyPPMMFYBJUVQESJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.97
Rot. Bonds3

About 2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide

2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide (PubChem CID 81215351) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide.

Molecular Properties

Compound Name2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide
PubChem CID81215351
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide
SMILESCN(CC(N)=O)c1ccc2c(c1)NCCC2
InChIInChI=1S/C12H17N3O/c1-15(8-12(13)16)10-5-4-9-3-2-6-14-11(9)7-10/h4-5,7,14H,2-3,6,8H2,1H3,(H2,13,16)
InChIKeyPPMMFYBJUVQESJ-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide
CID 81214860
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-7-yl)ethane-1,2-diamine
CID 81215028
2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide
CID 81214504
N-(4-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 81215309
N-methyl-N-pyrimidin-2-yl-1,2,3,4-tetrahydroquinolin-7-amine
CID 82513399
N-cyclohexyl-N-methyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 81215187
N-methyl-N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 81214678
N-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 81214759
3-[2-fluoro-4-[methyl(1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino]phenyl]propanoic acid
CID 59369261
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
CID 81214955
N-butyl-N-ethyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 81217490
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 81215273

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide?
The IUPAC name of 2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide (CID 81215351) is 2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide.
What is the SMILES notation for 2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide?
The canonical SMILES for 2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide is CN(CC(N)=O)c1ccc2c(c1)NCCC2.
What is the InChIKey of 2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide?
The InChIKey is PPMMFYBJUVQESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(8-12(13)16)10-5-4-9-3-2-6-14-11(9)7-10/h4-5,7,14H,2-3,6,8H2,1H3,(H2,13,16).
What are the key properties of 2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide?
2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide has a molecular weight of 219.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide is sourced from PubChem (CID 81215351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).