2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol

C11H20N2OS — CID 82314461

IUPAC2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol
SMILESCC(NCCN(C)C)C(O)c1cccs1
InChIInChI=1S/C11H20N2OS/c1-9(12-6-7-13(2)3)11(14)10-5-4-8-15-10/h4-5,8-9,11-12,14H,6-7H2,1-3H3
InChIKeyVTYKBLLAOZKQFW-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.32
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol

2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol (PubChem CID 82314461) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol
PubChem CID82314461
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol
SMILESCC(NCCN(C)C)C(O)c1cccs1
InChIInChI=1S/C11H20N2OS/c1-9(12-6-7-13(2)3)11(14)10-5-4-8-15-10/h4-5,8-9,11-12,14H,6-7H2,1-3H3
InChIKeyVTYKBLLAOZKQFW-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314459
2-(pentylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314420
2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile
CID 61346756
2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314573
ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate
CID 61347720
2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82313474
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544
2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide
CID 113279191
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol (CID 82314461) is 2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol is CC(NCCN(C)C)C(O)c1cccs1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol?
The InChIKey is VTYKBLLAOZKQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(12-6-7-13(2)3)11(14)10-5-4-8-15-10/h4-5,8-9,11-12,14H,6-7H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol?
2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 82314461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).