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

C12H24N2S — CID 57311689

IUPAC4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine
SMILESCN(C)CCC=CSC=CCCN(C)C
InChIInChI=1S/C12H24N2S/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyXVHLZNDCIKFZOJ-UHFFFAOYSA-N
MW228.41 g/mol
LogP2.65
Rot. Bonds8

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

4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine (PubChem CID 57311689) has the molecular formula C12H24N2S and a molecular weight of 228.41 g/mol. Its IUPAC name is 4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine
PubChem CID57311689
Molecular FormulaC12H24N2S
Molecular Weight228.41 g/mol
Exact Mass228.17
IUPAC Name4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine
SMILESCN(C)CCC=CSC=CCCN(C)C
InChIInChI=1S/C12H24N2S/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyXVHLZNDCIKFZOJ-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 ≤ 500228.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of 4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine (CID 57311689) is 4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for 4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for 4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine is CN(C)CCC=CSC=CCCN(C)C.
What is the InChIKey of 4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine?
The InChIKey is XVHLZNDCIKFZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine?
4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine has a molecular weight of 228.41 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 4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 57311689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).