5-(aminomethyl)-2-propylocta-2,4-dienamide

C12H22N2O — CID 58859636

IUPAC5-(aminomethyl)-2-propylocta-2,4-dienamide
SMILESCCCC(=CC=C(CCC)C(N)=O)CN
InChIInChI=1S/C12H22N2O/c1-3-5-10(9-13)7-8-11(6-4-2)12(14)15/h7-8H,3-6,9,13H2,1-2H3,(H2,14,15)
InChIKeyHEIGKHDRYJRSAU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.88
Rot. Bonds7

About 5-(aminomethyl)-2-propylocta-2,4-dienamide

5-(aminomethyl)-2-propylocta-2,4-dienamide (PubChem CID 58859636) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-propylocta-2,4-dienamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-propylocta-2,4-dienamide
PubChem CID58859636
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-(aminomethyl)-2-propylocta-2,4-dienamide
SMILESCCCC(=CC=C(CCC)C(N)=O)CN
InChIInChI=1S/C12H22N2O/c1-3-5-10(9-13)7-8-11(6-4-2)12(14)15/h7-8H,3-6,9,13H2,1-2H3,(H2,14,15)
InChIKeyHEIGKHDRYJRSAU-UHFFFAOYSA-N
XLogP1.88
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-propylocta-2,4-dienamide?
The IUPAC name of 5-(aminomethyl)-2-propylocta-2,4-dienamide (CID 58859636) is 5-(aminomethyl)-2-propylocta-2,4-dienamide.
What is the SMILES notation for 5-(aminomethyl)-2-propylocta-2,4-dienamide?
The canonical SMILES for 5-(aminomethyl)-2-propylocta-2,4-dienamide is CCCC(=CC=C(CCC)C(N)=O)CN.
What is the InChIKey of 5-(aminomethyl)-2-propylocta-2,4-dienamide?
The InChIKey is HEIGKHDRYJRSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-10(9-13)7-8-11(6-4-2)12(14)15/h7-8H,3-6,9,13H2,1-2H3,(H2,14,15).
What are the key properties of 5-(aminomethyl)-2-propylocta-2,4-dienamide?
5-(aminomethyl)-2-propylocta-2,4-dienamide has a molecular weight of 210.32 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-propylocta-2,4-dienamide is sourced from PubChem (CID 58859636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).