3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine

C7H15NS — CID 146392783

IUPAC3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine
SMILESCSCNC(C)=C(C)C
InChIInChI=1S/C7H15NS/c1-6(2)7(3)8-5-9-4/h8H,5H2,1-4H3
InChIKeyMAXUUYQXXNMCSW-UHFFFAOYSA-N
MW145.27 g/mol
LogP2.21
Rot. Bonds3

About 3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine

3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine (PubChem CID 146392783) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine
PubChem CID146392783
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine
SMILESCSCNC(C)=C(C)C
InChIInChI=1S/C7H15NS/c1-6(2)7(3)8-5-9-4/h8H,5H2,1-4H3
InChIKeyMAXUUYQXXNMCSW-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine?
The IUPAC name of 3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine (CID 146392783) is 3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine.
What is the SMILES notation for 3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine?
The canonical SMILES for 3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine is CSCNC(C)=C(C)C.
What is the InChIKey of 3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine?
The InChIKey is MAXUUYQXXNMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)7(3)8-5-9-4/h8H,5H2,1-4H3.
What are the key properties of 3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine?
3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine has a molecular weight of 145.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine is sourced from PubChem (CID 146392783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).