4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one

C15H25NOS — CID 79486739

IUPAC4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
SMILESCC(Cc1cccs1)N(C)CCC(=O)C(C)(C)C
InChIInChI=1S/C15H25NOS/c1-12(11-13-7-6-10-18-13)16(5)9-8-14(17)15(2,3)4/h6-7,10,12H,8-9,11H2,1-5H3
InChIKeyQFHPFBZUTRHMLO-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.62
Rot. Bonds6

About 4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one

4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one (PubChem CID 79486739) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
PubChem CID79486739
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
SMILESCC(Cc1cccs1)N(C)CCC(=O)C(C)(C)C
InChIInChI=1S/C15H25NOS/c1-12(11-13-7-6-10-18-13)16(5)9-8-14(17)15(2,3)4/h6-7,10,12H,8-9,11H2,1-5H3
InChIKeyQFHPFBZUTRHMLO-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
1-(2-chlorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-one
CID 79489640
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
2,2-dimethyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propanehydrazide
CID 79630513
2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid
CID 79494045
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine
CID 79485910
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one?
The IUPAC name of 4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one (CID 79486739) is 4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one is CC(Cc1cccs1)N(C)CCC(=O)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one?
The InChIKey is QFHPFBZUTRHMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(11-13-7-6-10-18-13)16(5)9-8-14(17)15(2,3)4/h6-7,10,12H,8-9,11H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one?
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one has a molecular weight of 267.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one is sourced from PubChem (CID 79486739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).