2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol

C12H21NOS — CID 79486869

IUPAC2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(Cc1cccs1)N(C)CC(C)(C)O
InChIInChI=1S/C12H21NOS/c1-10(8-11-6-5-7-15-11)13(4)9-12(2,3)14/h5-7,10,14H,8-9H2,1-4H3
InChIKeyXJYLRYPGBZPFAX-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.38
Rot. Bonds5

About 2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol

2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 79486869) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
PubChem CID79486869
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(Cc1cccs1)N(C)CC(C)(C)O
InChIInChI=1S/C12H21NOS/c1-10(8-11-6-5-7-15-11)13(4)9-12(2,3)14/h5-7,10,14H,8-9H2,1-4H3
InChIKeyXJYLRYPGBZPFAX-UHFFFAOYSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 79489657
2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
CID 79489421
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 111750360
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine
CID 79485910
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol (CID 79486869) is 2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol is CC(Cc1cccs1)N(C)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
The InChIKey is XJYLRYPGBZPFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(8-11-6-5-7-15-11)13(4)9-12(2,3)14/h5-7,10,14H,8-9H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 227.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 79486869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).