(2S)-1-methoxy-4-methylselanylbutan-2-amine

C6H15NOSe — CID 141286131

IUPAC(2S)-1-methoxy-4-methylselanylbutan-2-amine
SMILESCOC[C@@H](N)CC[Se]C
InChIInChI=1S/C6H15NOSe/c1-8-5-6(7)3-4-9-2/h6H,3-5,7H2,1-2H3/t6-/m0/s1
InChIKeySIYGXCRRTZJWTG-LURJTMIESA-N
MW196.15 g/mol
LogP0.52
Rot. Bonds5

About (2S)-1-methoxy-4-methylselanylbutan-2-amine

(2S)-1-methoxy-4-methylselanylbutan-2-amine (PubChem CID 141286131) has the molecular formula C6H15NOSe and a molecular weight of 196.15 g/mol. Its IUPAC name is (2S)-1-methoxy-4-methylselanylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-4-methylselanylbutan-2-amine
PubChem CID141286131
Molecular FormulaC6H15NOSe
Molecular Weight196.15 g/mol
Exact Mass197.03
IUPAC Name(2S)-1-methoxy-4-methylselanylbutan-2-amine
SMILESCOC[C@@H](N)CC[Se]C
InChIInChI=1S/C6H15NOSe/c1-8-5-6(7)3-4-9-2/h6H,3-5,7H2,1-2H3/t6-/m0/s1
InChIKeySIYGXCRRTZJWTG-LURJTMIESA-N
XLogP0.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-4-methylselanylbutan-2-amine?
The IUPAC name of (2S)-1-methoxy-4-methylselanylbutan-2-amine (CID 141286131) is (2S)-1-methoxy-4-methylselanylbutan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-4-methylselanylbutan-2-amine?
The canonical SMILES for (2S)-1-methoxy-4-methylselanylbutan-2-amine is COC[C@@H](N)CC[Se]C.
What is the InChIKey of (2S)-1-methoxy-4-methylselanylbutan-2-amine?
The InChIKey is SIYGXCRRTZJWTG-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NOSe/c1-8-5-6(7)3-4-9-2/h6H,3-5,7H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-methoxy-4-methylselanylbutan-2-amine?
(2S)-1-methoxy-4-methylselanylbutan-2-amine has a molecular weight of 196.15 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-4-methylselanylbutan-2-amine is sourced from PubChem (CID 141286131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).