3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine

C11H25NS — CID 59174849

IUPAC3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine
SMILESCC(C)NC(CSC(C)C)C(C)C
InChIInChI=1S/C11H25NS/c1-8(2)11(12-9(3)4)7-13-10(5)6/h8-12H,7H2,1-6H3
InChIKeyFHNBWUPFFPVCNH-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.15
Rot. Bonds6

About 3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine

3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine (PubChem CID 59174849) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine
PubChem CID59174849
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine
SMILESCC(C)NC(CSC(C)C)C(C)C
InChIInChI=1S/C11H25NS/c1-8(2)11(12-9(3)4)7-13-10(5)6/h8-12H,7H2,1-6H3
InChIKeyFHNBWUPFFPVCNH-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine (CID 59174849) is 3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine is CC(C)NC(CSC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine?
The InChIKey is FHNBWUPFFPVCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-8(2)11(12-9(3)4)7-13-10(5)6/h8-12H,7H2,1-6H3.
What are the key properties of 3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine?
3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-1-propan-2-ylsulfanylbutan-2-amine is sourced from PubChem (CID 59174849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).