N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine

C8H19NS — CID 62693199

IUPACN-ethyl-3-methyl-1-methylsulfanylbutan-2-amine
SMILESCCNC(CSC)C(C)C
InChIInChI=1S/C8H19NS/c1-5-9-8(6-10-4)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeySXNRHMRGOYHENR-UHFFFAOYSA-N
MW161.31 g/mol
LogP1.98
Rot. Bonds5

About N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine

N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine (PubChem CID 62693199) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-methylsulfanylbutan-2-amine
PubChem CID62693199
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-ethyl-3-methyl-1-methylsulfanylbutan-2-amine
SMILESCCNC(CSC)C(C)C
InChIInChI=1S/C8H19NS/c1-5-9-8(6-10-4)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeySXNRHMRGOYHENR-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine (CID 62693199) is N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine is CCNC(CSC)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine?
The InChIKey is SXNRHMRGOYHENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-5-9-8(6-10-4)7(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine?
N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine has a molecular weight of 161.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 62693199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).