2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine

C11H25NS — CID 62576608

IUPAC2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine
SMILESCCC(C)(C)NCC(C)SC(C)C
InChIInChI=1S/C11H25NS/c1-7-11(5,6)12-8-10(4)13-9(2)3/h9-10,12H,7-8H2,1-6H3
InChIKeyJQNFDOZAHJFOBE-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.29
Rot. Bonds6

About 2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine

2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine (PubChem CID 62576608) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine
PubChem CID62576608
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine
SMILESCCC(C)(C)NCC(C)SC(C)C
InChIInChI=1S/C11H25NS/c1-7-11(5,6)12-8-10(4)13-9(2)3/h9-10,12H,7-8H2,1-6H3
InChIKeyJQNFDOZAHJFOBE-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine?
The IUPAC name of 2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine (CID 62576608) is 2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine is CCC(C)(C)NCC(C)SC(C)C.
What is the InChIKey of 2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine?
The InChIKey is JQNFDOZAHJFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-7-11(5,6)12-8-10(4)13-9(2)3/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine?
2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine is sourced from PubChem (CID 62576608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).