2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol

C15H27NOS — CID 79061093

IUPAC2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol
SMILESCCN(CC)C(CC)(CC)C(O)c1ccc(C)s1
InChIInChI=1S/C15H27NOS/c1-6-15(7-2,16(8-3)9-4)14(17)13-11-10-12(5)18-13/h10-11,14,17H,6-9H2,1-5H3
InChIKeyVXTNTDRHEZPCFQ-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.99
Rot. Bonds7

About 2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol

2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol (PubChem CID 79061093) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol
PubChem CID79061093
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol
SMILESCCN(CC)C(CC)(CC)C(O)c1ccc(C)s1
InChIInChI=1S/C15H27NOS/c1-6-15(7-2,16(8-3)9-4)14(17)13-11-10-12(5)18-13/h10-11,14,17H,6-9H2,1-5H3
InChIKeyVXTNTDRHEZPCFQ-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol?
The IUPAC name of 2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol (CID 79061093) is 2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol.
What is the SMILES notation for 2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol?
The canonical SMILES for 2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol is CCN(CC)C(CC)(CC)C(O)c1ccc(C)s1.
What is the InChIKey of 2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol?
The InChIKey is VXTNTDRHEZPCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-6-15(7-2,16(8-3)9-4)14(17)13-11-10-12(5)18-13/h10-11,14,17H,6-9H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol?
2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol has a molecular weight of 269.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol is sourced from PubChem (CID 79061093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).