1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol

C15H27NOS — CID 66179370

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol
SMILESCc1cc(C(C)NCC(C)(O)CC(C)C)c(C)s1
InChIInChI=1S/C15H27NOS/c1-10(2)8-15(6,17)9-16-12(4)14-7-11(3)18-13(14)5/h7,10,12,16-17H,8-9H2,1-6H3
InChIKeySCBCVVNZIVIIQI-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.81
Rot. Bonds6

About 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol

1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol (PubChem CID 66179370) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol
PubChem CID66179370
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol
SMILESCc1cc(C(C)NCC(C)(O)CC(C)C)c(C)s1
InChIInChI=1S/C15H27NOS/c1-10(2)8-15(6,17)9-16-12(4)14-7-11(3)18-13(14)5/h7,10,12,16-17H,8-9H2,1-6H3
InChIKeySCBCVVNZIVIIQI-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol (CID 66179370) is 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol is Cc1cc(C(C)NCC(C)(O)CC(C)C)c(C)s1.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is SCBCVVNZIVIIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-10(2)8-15(6,17)9-16-12(4)14-7-11(3)18-13(14)5/h7,10,12,16-17H,8-9H2,1-6H3.
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol?
1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 269.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66179370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).