N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine

C11H26N2S — CID 138745527

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine
SMILESCC(C)N(S)CCN(C(C)C)C(C)C
InChIInChI=1S/C11H26N2S/c1-9(2)12(10(3)4)7-8-13(14)11(5)6/h9-11,14H,7-8H2,1-6H3
InChIKeyQAAYHLYXHNZHND-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.66
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine

N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine (PubChem CID 138745527) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine
PubChem CID138745527
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine
SMILESCC(C)N(S)CCN(C(C)C)C(C)C
InChIInChI=1S/C11H26N2S/c1-9(2)12(10(3)4)7-8-13(14)11(5)6/h9-11,14H,7-8H2,1-6H3
InChIKeyQAAYHLYXHNZHND-UHFFFAOYSA-N
XLogP2.66
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine (CID 138745527) is N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine is CC(C)N(S)CCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine?
The InChIKey is QAAYHLYXHNZHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-9(2)12(10(3)4)7-8-13(14)11(5)6/h9-11,14H,7-8H2,1-6H3.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine?
N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine has a molecular weight of 218.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-ylthiohydroxylamine is sourced from PubChem (CID 138745527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).