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

C11H20N2OS — CID 112501508

IUPAC1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol
SMILESCN(C)CCNCC(C)(O)c1cccs1
InChIInChI=1S/C11H20N2OS/c1-11(14,10-5-4-8-15-10)9-12-6-7-13(2)3/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyIWKKEVYYMXLSKJ-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.11
Rot. Bonds6

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

1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 112501508) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol
PubChem CID112501508
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol
SMILESCN(C)CCNCC(C)(O)c1cccs1
InChIInChI=1S/C11H20N2OS/c1-11(14,10-5-4-8-15-10)9-12-6-7-13(2)3/h4-5,8,12,14H,6-7,9H2,1-3H3
InChIKeyIWKKEVYYMXLSKJ-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol
CID 111440624
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 109420228
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
(E)-4-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)but-2-enamide
CID 146101049
1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440507
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
4-[[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methyl]benzonitrile
CID 111440639
2-[[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methyl]-5-methoxyphenol
CID 111440552
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 120971501
2-(diethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111441786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol (CID 112501508) is 1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol is CN(C)CCNCC(C)(O)c1cccs1.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is IWKKEVYYMXLSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(14,10-5-4-8-15-10)9-12-6-7-13(2)3/h4-5,8,12,14H,6-7,9H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol?
1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 112501508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).