(2S)-3-methyl-1-phenylselanylbutan-2-amine

C11H17NSe — CID 11572279

IUPAC(2S)-3-methyl-1-phenylselanylbutan-2-amine
SMILESCC(C)[C@H](N)C[Se]c1ccccc1
InChIInChI=1S/C11H17NSe/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1
InChIKeyJDAXQOIWUPFTKV-LLVKDONJSA-N
MW242.22 g/mol
LogP1.42
Rot. Bonds4

About (2S)-3-methyl-1-phenylselanylbutan-2-amine

(2S)-3-methyl-1-phenylselanylbutan-2-amine (PubChem CID 11572279) has the molecular formula C11H17NSe and a molecular weight of 242.22 g/mol. Its IUPAC name is (2S)-3-methyl-1-phenylselanylbutan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-1-phenylselanylbutan-2-amine
PubChem CID11572279
Molecular FormulaC11H17NSe
Molecular Weight242.22 g/mol
Exact Mass243.05
IUPAC Name(2S)-3-methyl-1-phenylselanylbutan-2-amine
SMILESCC(C)[C@H](N)C[Se]c1ccccc1
InChIInChI=1S/C11H17NSe/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1
InChIKeyJDAXQOIWUPFTKV-LLVKDONJSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Buten-2-amine, 4-phenyl-
CID 6442398
(2S)-1-(Diphenylphosphanyl)-3-methylbutan-2-amine
CID 15145880
N-[tert-butyl(phenyl)phosphinothioyl]-2-methylpropan-1-amine
CID 3346045
1-Phenylselanylpropan-2-amine
CID 10036158
(E)-5-phenylpent-4-en-2-amine
CID 55254237
(2S)-5-phenylpent-4-en-2-amine
CID 57587512
(2R)-5-phenylpent-4-en-2-amine
CID 57587520
(Z,2S)-5-phenylpent-4-en-2-amine
CID 132118109
(Z)-5-phenylpent-4-en-2-amine
CID 132118110
(Z)-4-phenylbut-3-en-2-amine
CID 132118220
(Z,2R)-5-phenylpent-4-en-2-amine
CID 132118712
1-(4-Fluorophenyl)selanylpropan-2-amine
CID 85956566

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-phenylselanylbutan-2-amine?
The IUPAC name of (2S)-3-methyl-1-phenylselanylbutan-2-amine (CID 11572279) is (2S)-3-methyl-1-phenylselanylbutan-2-amine.
What is the SMILES notation for (2S)-3-methyl-1-phenylselanylbutan-2-amine?
The canonical SMILES for (2S)-3-methyl-1-phenylselanylbutan-2-amine is CC(C)[C@H](N)C[Se]c1ccccc1.
What is the InChIKey of (2S)-3-methyl-1-phenylselanylbutan-2-amine?
The InChIKey is JDAXQOIWUPFTKV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NSe/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3/t11-/m1/s1.
What are the key properties of (2S)-3-methyl-1-phenylselanylbutan-2-amine?
(2S)-3-methyl-1-phenylselanylbutan-2-amine has a molecular weight of 242.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-phenylselanylbutan-2-amine is sourced from PubChem (CID 11572279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).