3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine

C11H25NOS — CID 103033623

IUPAC3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
SMILESCCC(CSC)NCCC(C)(C)OC
InChIInChI=1S/C11H25NOS/c1-6-10(9-14-5)12-8-7-11(2,3)13-4/h10,12H,6-9H2,1-5H3
InChIKeyOOINGIFJXGKPTA-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.53
Rot. Bonds8

About 3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine

3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine (PubChem CID 103033623) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
PubChem CID103033623
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
SMILESCCC(CSC)NCCC(C)(C)OC
InChIInChI=1S/C11H25NOS/c1-6-10(9-14-5)12-8-7-11(2,3)13-4/h10,12H,6-9H2,1-5H3
InChIKeyOOINGIFJXGKPTA-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 103033354
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
CID 103033211
2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
CID 115899950
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 106675441
7-methoxy-N,7-dimethyloctan-4-amine
CID 103031355
2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
CID 103035628
8-methoxy-N,8-dimethylnonan-4-amine
CID 103034544
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine (CID 103033623) is 3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine is CCC(CSC)NCCC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine?
The InChIKey is OOINGIFJXGKPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-6-10(9-14-5)12-8-7-11(2,3)13-4/h10,12H,6-9H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine?
3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine is sourced from PubChem (CID 103033623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).