6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one

C14H23NOS — CID 79486782

IUPAC6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
SMILESCC(=O)CCCCN(C)C(C)Cc1cccs1
InChIInChI=1S/C14H23NOS/c1-12(11-14-8-6-10-17-14)15(3)9-5-4-7-13(2)16/h6,8,10,12H,4-5,7,9,11H2,1-3H3
InChIKeyNLZDFMVPGYIJEN-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.37
Rot. Bonds8

About 6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one

6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one (PubChem CID 79486782) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one.

Molecular Properties

Compound Name6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
PubChem CID79486782
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
SMILESCC(=O)CCCCN(C)C(C)Cc1cccs1
InChIInChI=1S/C14H23NOS/c1-12(11-14-8-6-10-17-14)15(3)9-5-4-7-13(2)16/h6,8,10,12H,4-5,7,9,11H2,1-3H3
InChIKeyNLZDFMVPGYIJEN-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
CID 79476012
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
1-(2-chlorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-one
CID 79489640
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid
CID 79494045
5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
CID 79486633

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one?
The IUPAC name of 6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one (CID 79486782) is 6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one.
What is the SMILES notation for 6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one?
The canonical SMILES for 6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one is CC(=O)CCCCN(C)C(C)Cc1cccs1.
What is the InChIKey of 6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one?
The InChIKey is NLZDFMVPGYIJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-12(11-14-8-6-10-17-14)15(3)9-5-4-7-13(2)16/h6,8,10,12H,4-5,7,9,11H2,1-3H3.
What are the key properties of 6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one?
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one has a molecular weight of 253.41 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one is sourced from PubChem (CID 79486782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).