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

C10H17NOS — CID 60884044

IUPAC2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1cccs1)CC(C)(C)O
InChIInChI=1S/C10H17NOS/c1-10(2,12)8-11(3)7-9-5-4-6-13-9/h4-6,12H,7-8H2,1-3H3
InChIKeyHPWHTRUBVQIKRA-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.95
Rot. Bonds4

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

2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 60884044) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID60884044
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCN(Cc1cccs1)CC(C)(C)O
InChIInChI=1S/C10H17NOS/c1-10(2,12)8-11(3)7-9-5-4-6-13-9/h4-6,12H,7-8H2,1-3H3
InChIKeyHPWHTRUBVQIKRA-UHFFFAOYSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 60884044) is 2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol is CN(Cc1cccs1)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is HPWHTRUBVQIKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-10(2,12)8-11(3)7-9-5-4-6-13-9/h4-6,12H,7-8H2,1-3H3.
What are the key properties of 2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol?
2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 60884044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).