N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine

C9H21NS — CID 130474518

IUPACN,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine
SMILESCCC(C)(C)SCCN(C)C
InChIInChI=1S/C9H21NS/c1-6-9(2,3)11-8-7-10(4)5/h6-8H2,1-5H3
InChIKeyWDZDJQIYYIUAKL-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.47
Rot. Bonds5

About N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine

N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine (PubChem CID 130474518) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine
PubChem CID130474518
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine
SMILESCCC(C)(C)SCCN(C)C
InChIInChI=1S/C9H21NS/c1-6-9(2,3)11-8-7-10(4)5/h6-8H2,1-5H3
InChIKeyWDZDJQIYYIUAKL-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine (CID 130474518) is N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine is CCC(C)(C)SCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine?
The InChIKey is WDZDJQIYYIUAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-6-9(2,3)11-8-7-10(4)5/h6-8H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine?
N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine has a molecular weight of 175.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylbutan-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 130474518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).