1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one

C12H19NOS — CID 115235349

IUPAC1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
SMILESCC(=O)CNCC(C)(C)c1sccc1C
InChIInChI=1S/C12H19NOS/c1-9-5-6-15-11(9)12(3,4)8-13-7-10(2)14/h5-6,13H,7-8H2,1-4H3
InChIKeyLKQFIPZRUVGLDH-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.51
Rot. Bonds5

About 1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one

1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one (PubChem CID 115235349) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
PubChem CID115235349
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
SMILESCC(=O)CNCC(C)(C)c1sccc1C
InChIInChI=1S/C12H19NOS/c1-9-5-6-15-11(9)12(3,4)8-13-7-10(2)14/h5-6,13H,7-8H2,1-4H3
InChIKeyLKQFIPZRUVGLDH-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
CID 115223622
N-(2-chloroethyl)-2-methyl-2-(3-methylthiophen-2-yl)propan-1-amine
CID 115215359
2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine
CID 115200327
4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115155557
1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
CID 115235277
2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115188496
2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
CID 83692596
2-methyl-2-(3-methylthiophen-2-yl)-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238232
1-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propan-2-one
CID 115235308
N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine
CID 79995989
5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine
CID 115148718
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]propan-2-one
CID 115235320

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one?
The IUPAC name of 1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one (CID 115235349) is 1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one.
What is the SMILES notation for 1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one?
The canonical SMILES for 1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one is CC(=O)CNCC(C)(C)c1sccc1C.
What is the InChIKey of 1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one?
The InChIKey is LKQFIPZRUVGLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-5-6-15-11(9)12(3,4)8-13-7-10(2)14/h5-6,13H,7-8H2,1-4H3.
What are the key properties of 1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one?
1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one has a molecular weight of 225.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one is sourced from PubChem (CID 115235349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).