1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine

C11H25NOS — CID 103275869

IUPAC1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine
SMILESCCOCC(NCCSCC)C(C)C
InChIInChI=1S/C11H25NOS/c1-5-13-9-11(10(3)4)12-7-8-14-6-2/h10-12H,5-9H2,1-4H3
InChIKeyIFOKNRRBQOOWLR-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.39
Rot. Bonds9

About 1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine

1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine (PubChem CID 103275869) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine
PubChem CID103275869
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine
SMILESCCOCC(NCCSCC)C(C)C
InChIInChI=1S/C11H25NOS/c1-5-13-9-11(10(3)4)12-7-8-14-6-2/h10-12H,5-9H2,1-4H3
InChIKeyIFOKNRRBQOOWLR-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 115729284
1-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 103845943
(1-ethoxy-3-methylbutan-2-yl)hydrazine
CID 105199529
1-ethoxy-3-ethylsulfanyl-N-propylpropan-2-amine
CID 79574875
2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 114114949
N-(cyclohexylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271077
N,N'-bis(1-butoxy-3-methylbutan-2-yl)butane-1,4-diamine
CID 89076193
1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine
CID 114114925
N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271048
3-[2-(2-methylpentan-3-ylamino)ethylsulfanyl]propan-1-ol
CID 115717861
1-chloro-N-(2-ethoxyethyl)-3-methylbutan-2-amine
CID 79244933
1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
CID 62577802

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine?
The IUPAC name of 1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine (CID 103275869) is 1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine is CCOCC(NCCSCC)C(C)C.
What is the InChIKey of 1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine?
The InChIKey is IFOKNRRBQOOWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-13-9-11(10(3)4)12-7-8-14-6-2/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine?
1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine has a molecular weight of 219.39 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(2-ethylsulfanylethyl)-3-methylbutan-2-amine is sourced from PubChem (CID 103275869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).