N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine

C10H23NS — CID 20760260

IUPACN-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCCSC(C)(C)C
InChIInChI=1S/C10H23NS/c1-9(2,3)11-7-8-12-10(4,5)6/h11H,7-8H2,1-6H3
InChIKeyQXDAHBNKWYQSOG-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.91
Rot. Bonds3

About N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine

N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine (PubChem CID 20760260) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine
PubChem CID20760260
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCCSC(C)(C)C
InChIInChI=1S/C10H23NS/c1-9(2,3)11-7-8-12-10(4,5)6/h11H,7-8H2,1-6H3
InChIKeyQXDAHBNKWYQSOG-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine (CID 20760260) is N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine is CC(C)(C)NCCSC(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine?
The InChIKey is QXDAHBNKWYQSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-9(2,3)11-7-8-12-10(4,5)6/h11H,7-8H2,1-6H3.
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine?
N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 20760260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).