N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine

C11H23NS — CID 142896100

IUPACN-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine
SMILESC=C(N(CC)CCSC)C(C)(C)C
InChIInChI=1S/C11H23NS/c1-7-12(8-9-13-6)10(2)11(3,4)5/h2,7-9H2,1,3-6H3
InChIKeyQTDBRUQLRHBVDL-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine

N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine (PubChem CID 142896100) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine
PubChem CID142896100
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine
SMILESC=C(N(CC)CCSC)C(C)(C)C
InChIInChI=1S/C11H23NS/c1-7-12(8-9-13-6)10(2)11(3,4)5/h2,7-9H2,1,3-6H3
InChIKeyQTDBRUQLRHBVDL-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine (CID 142896100) is N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine is C=C(N(CC)CCSC)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine?
The InChIKey is QTDBRUQLRHBVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-7-12(8-9-13-6)10(2)11(3,4)5/h2,7-9H2,1,3-6H3.
What are the key properties of N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine?
N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-N-(2-methylsulfanylethyl)but-1-en-2-amine is sourced from PubChem (CID 142896100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).