(E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine

C14H21NSe — CID 23271663

IUPAC(E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine
SMILESCCC(N)(/C=C/[Se]c1ccccc1C)CC
InChIInChI=1S/C14H21NSe/c1-4-14(15,5-2)10-11-16-13-9-7-6-8-12(13)3/h6-11H,4-5,15H2,1-3H3/b11-10+
InChIKeyWVACZMGTUYFTNH-ZHACJKMWSA-N
MW282.29 g/mol
LogP2.36
Rot. Bonds5

About (E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine

(E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine (PubChem CID 23271663) has the molecular formula C14H21NSe and a molecular weight of 282.29 g/mol. Its IUPAC name is (E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine.

Molecular Properties

Compound Name(E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine
PubChem CID23271663
Molecular FormulaC14H21NSe
Molecular Weight282.29 g/mol
Exact Mass283.08
IUPAC Name(E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine
SMILESCCC(N)(/C=C/[Se]c1ccccc1C)CC
InChIInChI=1S/C14H21NSe/c1-4-14(15,5-2)10-11-16-13-9-7-6-8-12(13)3/h6-11H,4-5,15H2,1-3H3/b11-10+
InChIKeyWVACZMGTUYFTNH-ZHACJKMWSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine?
The IUPAC name of (E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine (CID 23271663) is (E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine.
What is the SMILES notation for (E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine?
The canonical SMILES for (E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine is CCC(N)(/C=C/[Se]c1ccccc1C)CC.
What is the InChIKey of (E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine?
The InChIKey is WVACZMGTUYFTNH-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H21NSe/c1-4-14(15,5-2)10-11-16-13-9-7-6-8-12(13)3/h6-11H,4-5,15H2,1-3H3/b11-10+.
What are the key properties of (E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine?
(E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine has a molecular weight of 282.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-1-(2-methylphenyl)selanylpent-1-en-3-amine is sourced from PubChem (CID 23271663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).