N,2,3-trimethyl-3-methylsulfanylbutan-2-amine

C8H19NS — CID 58112253

IUPACN,2,3-trimethyl-3-methylsulfanylbutan-2-amine
SMILESCNC(C)(C)C(C)(C)SC
InChIInChI=1S/C8H19NS/c1-7(2,9-5)8(3,4)10-6/h9H,1-6H3
InChIKeyHANJRPUTOHSGPR-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.13
Rot. Bonds3

About N,2,3-trimethyl-3-methylsulfanylbutan-2-amine

N,2,3-trimethyl-3-methylsulfanylbutan-2-amine (PubChem CID 58112253) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N,2,3-trimethyl-3-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-3-methylsulfanylbutan-2-amine
PubChem CID58112253
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN,2,3-trimethyl-3-methylsulfanylbutan-2-amine
SMILESCNC(C)(C)C(C)(C)SC
InChIInChI=1S/C8H19NS/c1-7(2,9-5)8(3,4)10-6/h9H,1-6H3
InChIKeyHANJRPUTOHSGPR-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-3-methylsulfanylbutan-2-amine?
The IUPAC name of N,2,3-trimethyl-3-methylsulfanylbutan-2-amine (CID 58112253) is N,2,3-trimethyl-3-methylsulfanylbutan-2-amine.
What is the SMILES notation for N,2,3-trimethyl-3-methylsulfanylbutan-2-amine?
The canonical SMILES for N,2,3-trimethyl-3-methylsulfanylbutan-2-amine is CNC(C)(C)C(C)(C)SC.
What is the InChIKey of N,2,3-trimethyl-3-methylsulfanylbutan-2-amine?
The InChIKey is HANJRPUTOHSGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-7(2,9-5)8(3,4)10-6/h9H,1-6H3.
What are the key properties of N,2,3-trimethyl-3-methylsulfanylbutan-2-amine?
N,2,3-trimethyl-3-methylsulfanylbutan-2-amine has a molecular weight of 161.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-3-methylsulfanylbutan-2-amine is sourced from PubChem (CID 58112253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).