1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol

C13H24N2OS — CID 42837585

IUPAC1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol
SMILESCN(C)CCN(Cc1cccs1)CC(C)(C)O
InChIInChI=1S/C13H24N2OS/c1-13(2,16)11-15(8-7-14(3)4)10-12-6-5-9-17-12/h5-6,9,16H,7-8,10-11H2,1-4H3
InChIKeyCAWDVJNGGPYJEC-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.88
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol

1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol (PubChem CID 42837585) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol
PubChem CID42837585
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol
SMILESCN(C)CCN(Cc1cccs1)CC(C)(C)O
InChIInChI=1S/C13H24N2OS/c1-13(2,16)11-15(8-7-14(3)4)10-12-6-5-9-17-12/h5-6,9,16H,7-8,10-11H2,1-4H3
InChIKeyCAWDVJNGGPYJEC-UHFFFAOYSA-N
XLogP1.88
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol (CID 42837585) is 1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol is CN(C)CCN(Cc1cccs1)CC(C)(C)O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol?
The InChIKey is CAWDVJNGGPYJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-13(2,16)11-15(8-7-14(3)4)10-12-6-5-9-17-12/h5-6,9,16H,7-8,10-11H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol?
1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol has a molecular weight of 256.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 42837585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).