2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone

C13H21NOS — CID 61429349

IUPAC2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(C)CCC(C)C)s1
InChIInChI=1S/C13H21NOS/c1-10(2)7-8-14(4)9-12(15)13-6-5-11(3)16-13/h5-6,10H,7-9H2,1-4H3
InChIKeyZMAXEMIRLQDGCN-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.22
Rot. Bonds6

About 2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone

2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 61429349) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID61429349
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(C)CCC(C)C)s1
InChIInChI=1S/C13H21NOS/c1-10(2)7-8-14(4)9-12(15)13-6-5-11(3)16-13/h5-6,10H,7-9H2,1-4H3
InChIKeyZMAXEMIRLQDGCN-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428736
2-[methyl(4-methylpentan-2-yl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 54999646
2-(3-methylbutylsulfanyl)-1-(5-methylthiophen-2-yl)ethanone
CID 107752853
2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61451983
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
CID 116571604
2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62052007
2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 55226241
1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428681
2-[methyl(3-methylbutyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 61428682
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone (CID 61429349) is 2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN(C)CCC(C)C)s1.
What is the InChIKey of 2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is ZMAXEMIRLQDGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(2)7-8-14(4)9-12(15)13-6-5-11(3)16-13/h5-6,10H,7-9H2,1-4H3.
What are the key properties of 2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 239.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 61429349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).