2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol

C10H23NOS — CID 106507686

IUPAC2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol
SMILESCCSCCC(CN)(CO)C(C)C
InChIInChI=1S/C10H23NOS/c1-4-13-6-5-10(7-11,8-12)9(2)3/h9,12H,4-8,11H2,1-3H3
InChIKeyWNUULNWIOBYRHZ-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.72
Rot. Bonds7

About 2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol

2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol (PubChem CID 106507686) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol
PubChem CID106507686
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol
SMILESCCSCCC(CN)(CO)C(C)C
InChIInChI=1S/C10H23NOS/c1-4-13-6-5-10(7-11,8-12)9(2)3/h9,12H,4-8,11H2,1-3H3
InChIKeyWNUULNWIOBYRHZ-UHFFFAOYSA-N
XLogP1.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol (CID 106507686) is 2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol is CCSCCC(CN)(CO)C(C)C.
What is the InChIKey of 2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol?
The InChIKey is WNUULNWIOBYRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-13-6-5-10(7-11,8-12)9(2)3/h9,12H,4-8,11H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol?
2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-ethylsulfanylethyl)-3-methylbutan-1-ol is sourced from PubChem (CID 106507686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).