2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol

C12H27NOS — CID 112665129

IUPAC2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
SMILESCCC(CSC)N(C)CC(C)(CC)CO
InChIInChI=1S/C12H27NOS/c1-6-11(8-15-5)13(4)9-12(3,7-2)10-14/h11,14H,6-10H2,1-5H3
InChIKeyAQAPSHALJBDIHL-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.47
Rot. Bonds8

About 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol

2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol (PubChem CID 112665129) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
PubChem CID112665129
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
SMILESCCC(CSC)N(C)CC(C)(CC)CO
InChIInChI=1S/C12H27NOS/c1-6-11(8-15-5)13(4)9-12(3,7-2)10-14/h11,14H,6-10H2,1-5H3
InChIKeyAQAPSHALJBDIHL-UHFFFAOYSA-N
XLogP2.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
CID 112663720
N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112664882
2-ethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butanal
CID 112664539
2-[(dimethylamino)methyl]-2-methylbutan-1-ol
CID 62270560
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 62266178
1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropane-1,2-diamine
CID 112660985
2-methyl-1-[methyl(pentan-3-yl)amino]butan-2-ol
CID 114495374
N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 103067950
1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 112658783
2-[[2-hydroxyethyl(methyl)amino]methyl]-2-methylbutan-1-ol
CID 62272245
N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 103071191
2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol
CID 64796626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol (CID 112665129) is 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol is CCC(CSC)N(C)CC(C)(CC)CO.
What is the InChIKey of 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol?
The InChIKey is AQAPSHALJBDIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-6-11(8-15-5)13(4)9-12(3,7-2)10-14/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol?
2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol has a molecular weight of 233.42 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 112665129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).