N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine

C8H19NS — CID 58662027

IUPACN,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)(C)CN(C)C
InChIInChI=1S/C8H19NS/c1-8(2,7-10-5)6-9(3)4/h6-7H2,1-5H3
InChIKeyFRPZEYVYXKUAHY-UHFFFAOYSA-N
MW161.31 g/mol
LogP1.94
Rot. Bonds4

About N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine

N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine (PubChem CID 58662027) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine
PubChem CID58662027
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)(C)CN(C)C
InChIInChI=1S/C8H19NS/c1-8(2,7-10-5)6-9(3)4/h6-7H2,1-5H3
InChIKeyFRPZEYVYXKUAHY-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine (CID 58662027) is N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine is CSCC(C)(C)CN(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine?
The InChIKey is FRPZEYVYXKUAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-8(2,7-10-5)6-9(3)4/h6-7H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine?
N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 58662027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).