3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol

C16H23NOS2 — CID 28582

IUPAC3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol
SMILESCCN(CC)C(C)CC(O)(c1ccsc1)c1ccsc1
InChIInChI=1S/C16H23NOS2/c1-4-17(5-2)13(3)10-16(18,14-6-8-19-11-14)15-7-9-20-12-15/h6-9,11-13,18H,4-5,10H2,1-3H3
InChIKeyXHSKLJCKLKLRGY-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.17
Rot. Bonds7

About 3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol

3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol (PubChem CID 28582) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol.

Molecular Properties

Compound Name3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol
PubChem CID28582
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC Name3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol
SMILESCCN(CC)C(C)CC(O)(c1ccsc1)c1ccsc1
InChIInChI=1S/C16H23NOS2/c1-4-17(5-2)13(3)10-16(18,14-6-8-19-11-14)15-7-9-20-12-15/h6-9,11-13,18H,4-5,10H2,1-3H3
InChIKeyXHSKLJCKLKLRGY-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butanol, 3-(diethylamino)-1,1-di(thien-3-yl)-, hydrochloride
CID 28581
4-Hydroxy-N-methyl-N,N-dipropyl-4,4-di(thiophen-3-yl)butan-2-aminium iodide
CID 28583
1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide
CID 28585
3-(Piperidin-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol--hydrogen bromide (1/1)
CID 28587
3-(Morpholin-4-yl)-1,1-di(thiophen-3-yl)butan-1-ol--hydrogen bromide (1/1)
CID 28589
1-Propanol, 3-(dimethylamino)-1,1-di(thien-3-yl)-, hydrobromide
CID 205156
1-Propanol, 3-(dipropylamino)-1,1-di(thien-3-yl)-, hydrobromide
CID 205158
1-Propanol, 3-(dibutylamino)-1,1-di(thien-3-yl)-, hydrobromide
CID 205160
1-Propanol, 1,1-di(thien-3-yl)-3-pyrrolidinyl-, hydrobromide
CID 205162
1-Propanol, 1,1-di(thien-3-yl)-3-piperidino-, hydrobromide
CID 205164
1-Propanol, 1,1-di(thien-3-yl)-3-(hexahydro-1-azepinyl)-, hydrobromide
CID 205166
1-Propanol, 1,1-di(thien-3-yl)-3-morpholino-, hydrobromide
CID 205168

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol?
The IUPAC name of 3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol (CID 28582) is 3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol.
What is the SMILES notation for 3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol?
The canonical SMILES for 3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol is CCN(CC)C(C)CC(O)(c1ccsc1)c1ccsc1.
What is the InChIKey of 3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol?
The InChIKey is XHSKLJCKLKLRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS2/c1-4-17(5-2)13(3)10-16(18,14-6-8-19-11-14)15-7-9-20-12-15/h6-9,11-13,18H,4-5,10H2,1-3H3.
What are the key properties of 3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol?
3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol has a molecular weight of 309.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1,1-di(thiophen-3-yl)butan-1-ol is sourced from PubChem (CID 28582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).