3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine

C11H20N2OS — CID 102978103

IUPAC3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
SMILESCOC(C)(C)CCNC(C)c1nccs1
InChIInChI=1S/C11H20N2OS/c1-9(10-13-7-8-15-10)12-6-5-11(2,3)14-4/h7-9,12H,5-6H2,1-4H3
InChIKeyYVYOIUIQWXZABQ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.61
Rot. Bonds6

About 3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine

3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine (PubChem CID 102978103) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
PubChem CID102978103
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
SMILESCOC(C)(C)CCNC(C)c1nccs1
InChIInChI=1S/C11H20N2OS/c1-9(10-13-7-8-15-10)12-6-5-11(2,3)14-4/h7-9,12H,5-6H2,1-4H3
InChIKeyYVYOIUIQWXZABQ-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine (CID 102978103) is 3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine is COC(C)(C)CCNC(C)c1nccs1.
What is the InChIKey of 3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine?
The InChIKey is YVYOIUIQWXZABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(10-13-7-8-15-10)12-6-5-11(2,3)14-4/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine?
3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 102978103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).