3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine

C12H24N2S — CID 54512716

IUPAC3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine
SMILESC=C(CCN(C)C)SC(=C)CCN(C)C
InChIInChI=1S/C12H24N2S/c1-11(7-9-13(3)4)15-12(2)8-10-14(5)6/h1-2,7-10H2,3-6H3
InChIKeyYKGQPZKTCLFQDI-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.65
Rot. Bonds8

About 3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine

3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine (PubChem CID 54512716) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine
PubChem CID54512716
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine
SMILESC=C(CCN(C)C)SC(=C)CCN(C)C
InChIInChI=1S/C12H24N2S/c1-11(7-9-13(3)4)15-12(2)8-10-14(5)6/h1-2,7-10H2,3-6H3
InChIKeyYKGQPZKTCLFQDI-UHFFFAOYSA-N
XLogP2.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of 3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine (CID 54512716) is 3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for 3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for 3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine is C=C(CCN(C)C)SC(=C)CCN(C)C.
What is the InChIKey of 3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine?
The InChIKey is YKGQPZKTCLFQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-11(7-9-13(3)4)15-12(2)8-10-14(5)6/h1-2,7-10H2,3-6H3.
What are the key properties of 3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine?
3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine has a molecular weight of 228.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)but-1-en-2-ylsulfanyl]-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 54512716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).