2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine

C12H27NOS — CID 137419169

IUPAC2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine
SMILESCCCNC(C)(C)COC(C)(CC)SC
InChIInChI=1S/C12H27NOS/c1-7-9-13-11(3,4)10-14-12(5,8-2)15-6/h13H,7-10H2,1-6H3
InChIKeyFORBJKLURRLEAW-UHFFFAOYSA-N
MW233.42 g/mol
LogP3.27
Rot. Bonds8

About 2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine

2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine (PubChem CID 137419169) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine
PubChem CID137419169
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine
SMILESCCCNC(C)(C)COC(C)(CC)SC
InChIInChI=1S/C12H27NOS/c1-7-9-13-11(3,4)10-14-12(5,8-2)15-6/h13H,7-10H2,1-6H3
InChIKeyFORBJKLURRLEAW-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 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 ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine?
The IUPAC name of 2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine (CID 137419169) is 2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine?
The canonical SMILES for 2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine is CCCNC(C)(C)COC(C)(CC)SC.
What is the InChIKey of 2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine?
The InChIKey is FORBJKLURRLEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-7-9-13-11(3,4)10-14-12(5,8-2)15-6/h13H,7-10H2,1-6H3.
What are the key properties of 2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine?
2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine has a molecular weight of 233.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylsulfanylbutan-2-yloxy)-N-propylpropan-2-amine is sourced from PubChem (CID 137419169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).