(E)-2-methyl-4-methylsulfanylbut-1-en-1-amine

C6H13NS — CID 88936278

IUPAC(E)-2-methyl-4-methylsulfanylbut-1-en-1-amine
SMILESCSCC/C(C)=C/N
InChIInChI=1S/C6H13NS/c1-6(5-7)3-4-8-2/h5H,3-4,7H2,1-2H3/b6-5+
InChIKeyABLCIHGNKWDPON-AATRIKPKSA-N
MW131.24 g/mol
LogP1.60
Rot. Bonds3

About (E)-2-methyl-4-methylsulfanylbut-1-en-1-amine

(E)-2-methyl-4-methylsulfanylbut-1-en-1-amine (PubChem CID 88936278) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (E)-2-methyl-4-methylsulfanylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-4-methylsulfanylbut-1-en-1-amine
PubChem CID88936278
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(E)-2-methyl-4-methylsulfanylbut-1-en-1-amine
SMILESCSCC/C(C)=C/N
InChIInChI=1S/C6H13NS/c1-6(5-7)3-4-8-2/h5H,3-4,7H2,1-2H3/b6-5+
InChIKeyABLCIHGNKWDPON-AATRIKPKSA-N
XLogP1.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-methylsulfanylbut-1-en-1-amine?
The IUPAC name of (E)-2-methyl-4-methylsulfanylbut-1-en-1-amine (CID 88936278) is (E)-2-methyl-4-methylsulfanylbut-1-en-1-amine.
What is the SMILES notation for (E)-2-methyl-4-methylsulfanylbut-1-en-1-amine?
The canonical SMILES for (E)-2-methyl-4-methylsulfanylbut-1-en-1-amine is CSCC/C(C)=C/N.
What is the InChIKey of (E)-2-methyl-4-methylsulfanylbut-1-en-1-amine?
The InChIKey is ABLCIHGNKWDPON-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(5-7)3-4-8-2/h5H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of (E)-2-methyl-4-methylsulfanylbut-1-en-1-amine?
(E)-2-methyl-4-methylsulfanylbut-1-en-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-methylsulfanylbut-1-en-1-amine is sourced from PubChem (CID 88936278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).