N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine

C11H25NS — CID 62578609

IUPACN-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCSC(C)(C)C
InChIInChI=1S/C11H25NS/c1-9(2)10(3)12-7-8-13-11(4,5)6/h9-10,12H,7-8H2,1-6H3
InChIKeyCXIFNOPFFDIBJX-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.15
Rot. Bonds5

About N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine

N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine (PubChem CID 62578609) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine
PubChem CID62578609
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCSC(C)(C)C
InChIInChI=1S/C11H25NS/c1-9(2)10(3)12-7-8-13-11(4,5)6/h9-10,12H,7-8H2,1-6H3
InChIKeyCXIFNOPFFDIBJX-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.15
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)-3-methylbutan-2-amine?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine (CID 62578609) is N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine is CC(C)C(C)NCCSC(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine?
The InChIKey is CXIFNOPFFDIBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-9(2)10(3)12-7-8-13-11(4,5)6/h9-10,12H,7-8H2,1-6H3.
What are the key properties of N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine?
N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-3-methylbutan-2-amine is sourced from PubChem (CID 62578609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).