2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine

C11H23NS — CID 103838307

IUPAC2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
SMILESC=CCSCCNCC(CC)CC
InChIInChI=1S/C11H23NS/c1-4-8-13-9-7-12-10-11(5-2)6-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyKMKBUOKLTDMAIN-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.93
Rot. Bonds9

About 2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine

2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine (PubChem CID 103838307) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
PubChem CID103838307
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
SMILESC=CCSCCNCC(CC)CC
InChIInChI=1S/C11H23NS/c1-4-8-13-9-7-12-10-11(5-2)6-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyKMKBUOKLTDMAIN-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine (CID 103838307) is 2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine is C=CCSCCNCC(CC)CC.
What is the InChIKey of 2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine?
The InChIKey is KMKBUOKLTDMAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-8-13-9-7-12-10-11(5-2)6-3/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of 2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine?
2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine is sourced from PubChem (CID 103838307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).