3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane

C12H29NOS — CID 156707143

IUPAC3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane
SMILESCNC(C)(C)CCO.CSCCC(C)C
InChIInChI=1S/C6H15NO.C6H14S/c1-6(2,7-3)4-5-8;1-6(2)4-5-7-3/h7-8H,4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyLOUAYRMJIAJLBN-UHFFFAOYSA-N
MW235.44 g/mol
LogP2.76
Rot. Bonds6

About 3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane

3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane (PubChem CID 156707143) has the molecular formula C12H29NOS and a molecular weight of 235.44 g/mol. Its IUPAC name is 3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane.

Molecular Properties

Compound Name3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane
PubChem CID156707143
Molecular FormulaC12H29NOS
Molecular Weight235.44 g/mol
Exact Mass235.20
IUPAC Name3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane
SMILESCNC(C)(C)CCO.CSCCC(C)C
InChIInChI=1S/C6H15NO.C6H14S/c1-6(2,7-3)4-5-8;1-6(2)4-5-7-3/h7-8H,4-5H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyLOUAYRMJIAJLBN-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane?
The IUPAC name of 3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane (CID 156707143) is 3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane.
What is the SMILES notation for 3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane?
The canonical SMILES for 3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane is CNC(C)(C)CCO.CSCCC(C)C.
What is the InChIKey of 3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane?
The InChIKey is LOUAYRMJIAJLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C6H14S/c1-6(2,7-3)4-5-8;1-6(2)4-5-7-3/h7-8H,4-5H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane?
3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane has a molecular weight of 235.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(methylamino)butan-1-ol;3-methyl-1-methylsulfanylbutane is sourced from PubChem (CID 156707143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).