4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine

C10H22N2S — CID 77110470

IUPAC4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine
SMILESCCN(CC)CCSCC=CCN
InChIInChI=1S/C10H22N2S/c1-3-12(4-2)8-10-13-9-6-5-7-11/h5-6H,3-4,7-11H2,1-2H3
InChIKeyIUDLXZYFXHFBKJ-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.58
Rot. Bonds8

About 4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine

4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine (PubChem CID 77110470) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine
PubChem CID77110470
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine
SMILESCCN(CC)CCSCC=CCN
InChIInChI=1S/C10H22N2S/c1-3-12(4-2)8-10-13-9-6-5-7-11/h5-6H,3-4,7-11H2,1-2H3
InChIKeyIUDLXZYFXHFBKJ-UHFFFAOYSA-N
XLogP1.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine?
The IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine (CID 77110470) is 4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine.
What is the SMILES notation for 4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine?
The canonical SMILES for 4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine is CCN(CC)CCSCC=CCN.
What is the InChIKey of 4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine?
The InChIKey is IUDLXZYFXHFBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-12(4-2)8-10-13-9-6-5-7-11/h5-6H,3-4,7-11H2,1-2H3.
What are the key properties of 4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine?
4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylsulfanyl]but-2-en-1-amine is sourced from PubChem (CID 77110470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).