3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol

C14H25NOS — CID 79063568

IUPAC3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1cccs1
InChIInChI=1S/C14H25NOS/c1-5-14(4,15(6-2)7-3)13(16)11-12-9-8-10-17-12/h8-10,13,16H,5-7,11H2,1-4H3
InChIKeyJDJLEQACKRRYPC-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.16
Rot. Bonds7

About 3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol

3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol (PubChem CID 79063568) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol
PubChem CID79063568
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol
SMILESCCN(CC)C(C)(CC)C(O)Cc1cccs1
InChIInChI=1S/C14H25NOS/c1-5-14(4,15(6-2)7-3)13(16)11-12-9-8-10-17-12/h8-10,13,16H,5-7,11H2,1-4H3
InChIKeyJDJLEQACKRRYPC-UHFFFAOYSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine
CID 79068897
1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
CID 121219027
1-(3-bromophenyl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063193
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol
CID 83138477
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
2-methyl-2-(1-thiophen-2-ylbutan-2-ylamino)propan-1-ol
CID 115927429
1-(4-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-ol
CID 79063697
2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 66180831
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol
CID 79063322

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol?
The IUPAC name of 3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol (CID 79063568) is 3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol.
What is the SMILES notation for 3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol?
The canonical SMILES for 3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol is CCN(CC)C(C)(CC)C(O)Cc1cccs1.
What is the InChIKey of 3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol?
The InChIKey is JDJLEQACKRRYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-5-14(4,15(6-2)7-3)13(16)11-12-9-8-10-17-12/h8-10,13,16H,5-7,11H2,1-4H3.
What are the key properties of 3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol?
3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol has a molecular weight of 255.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol is sourced from PubChem (CID 79063568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).