(E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane

C15H30N2 — CID 142035448

IUPAC(E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane
SMILESC=C/C(=C\C)C(C#N)(CC)CCN.CC.CC
InChIInChI=1S/C11H18N2.2C2H6/c1-4-10(5-2)11(6-3,9-13)7-8-12;2*1-2/h4-5H,1,6-8,12H2,2-3H3;2*1-2H3/b10-5+;;
InChIKeyXNLIYYWUQXICJH-XKYXOGKGSA-N
MW238.42 g/mol
LogP4.44
Rot. Bonds5

About (E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane

(E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane (PubChem CID 142035448) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is (E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane.

Molecular Properties

Compound Name(E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane
PubChem CID142035448
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name(E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane
SMILESC=C/C(=C\C)C(C#N)(CC)CCN.CC.CC
InChIInChI=1S/C11H18N2.2C2H6/c1-4-10(5-2)11(6-3,9-13)7-8-12;2*1-2/h4-5H,1,6-8,12H2,2-3H3;2*1-2H3/b10-5+;;
InChIKeyXNLIYYWUQXICJH-XKYXOGKGSA-N
XLogP4.44
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane?
The IUPAC name of (E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane (CID 142035448) is (E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane.
What is the SMILES notation for (E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane?
The canonical SMILES for (E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane is C=C/C(=C\C)C(C#N)(CC)CCN.CC.CC.
What is the InChIKey of (E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane?
The InChIKey is XNLIYYWUQXICJH-XKYXOGKGSA-N. The full InChI is InChI=1S/C11H18N2.2C2H6/c1-4-10(5-2)11(6-3,9-13)7-8-12;2*1-2/h4-5H,1,6-8,12H2,2-3H3;2*1-2H3/b10-5+;;.
What are the key properties of (E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane?
(E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane has a molecular weight of 238.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-aminoethyl)-3-ethenyl-2-ethylpent-3-enenitrile;ethane is sourced from PubChem (CID 142035448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).