2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine

C7H17NOS — CID 137419061

IUPAC2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine
SMILESCSC(C)OCC(C)(C)N
InChIInChI=1S/C7H17NOS/c1-6(10-4)9-5-7(2,3)8/h6H,5,8H2,1-4H3
InChIKeyWFFZJIZVIYKVSB-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.45
Rot. Bonds4

About 2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine

2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine (PubChem CID 137419061) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine
PubChem CID137419061
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine
SMILESCSC(C)OCC(C)(C)N
InChIInChI=1S/C7H17NOS/c1-6(10-4)9-5-7(2,3)8/h6H,5,8H2,1-4H3
InChIKeyWFFZJIZVIYKVSB-UHFFFAOYSA-N
XLogP1.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-1-methylsulfanylethane
CID 18710050
2-(2-amino-2-methylpropoxy)propanamide
CID 64535809
azane;3-methylpentane-2,3-diamine
CID 174323665
2-methyl-1-(3-methylbutoxy)propan-2-amine
CID 64537569
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
1-hydroperoxy-2-methylpropan-2-amine
CID 59000383
2-methyl-4-propan-2-yloxypentan-2-amine
CID 126737676
2-methyl-1-(4-methylpentoxy)propan-2-amine
CID 83158586
2-(2-amino-2-methylpropoxy)-N-phenylpropanamide
CID 64536975
2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane
CID 134572213
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230
(4S)-2-methylpentane-2,4-diamine
CID 55284810

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine?
The IUPAC name of 2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine (CID 137419061) is 2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine?
The canonical SMILES for 2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine is CSC(C)OCC(C)(C)N.
What is the InChIKey of 2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine?
The InChIKey is WFFZJIZVIYKVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-6(10-4)9-5-7(2,3)8/h6H,5,8H2,1-4H3.
What are the key properties of 2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine?
2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine has a molecular weight of 163.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylsulfanylethoxy)propan-2-amine is sourced from PubChem (CID 137419061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).