1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine

C15H27NO2S — CID 106664979

IUPAC1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OCCC(C)(C)OC)c1sccc1C
InChIInChI=1S/C15H27NO2S/c1-6-12(16)13(14-11(2)7-10-19-14)18-9-8-15(3,4)17-5/h7,10,12-13H,6,8-9,16H2,1-5H3
InChIKeyCMINPWGJSLUFEX-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.67
Rot. Bonds8

About 1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine

1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine (PubChem CID 106664979) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
PubChem CID106664979
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OCCC(C)(C)OC)c1sccc1C
InChIInChI=1S/C15H27NO2S/c1-6-12(16)13(14-11(2)7-10-19-14)18-9-8-15(3,4)17-5/h7,10,12-13H,6,8-9,16H2,1-5H3
InChIKeyCMINPWGJSLUFEX-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
CID 112587258
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 66233569
1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
CID 106664975
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 102721766
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
1-(4-chloro-3,5-dimethylphenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63460480
1-[2-(3-methoxypropoxy)ethoxy]-1-(3-methylthiophen-2-yl)propan-2-amine
CID 103176953
2-[2-[2-amino-1-(3-methylthiophen-2-yl)butoxy]phenyl]ethanol
CID 107712111
1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine
CID 106665055
1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 106199961
1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63457801

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The IUPAC name of 1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine (CID 106664979) is 1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine is CCC(N)C(OCCC(C)(C)OC)c1sccc1C.
What is the InChIKey of 1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The InChIKey is CMINPWGJSLUFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-6-12(16)13(14-11(2)7-10-19-14)18-9-8-15(3,4)17-5/h7,10,12-13H,6,8-9,16H2,1-5H3.
What are the key properties of 1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine has a molecular weight of 285.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 106664979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).