(Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide

C12H24N2O2 — CID 168852504

IUPAC(Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide
SMILESCC/C=C\CCCC(=O)NCCOCCN
InChIInChI=1S/C12H24N2O2/c1-2-3-4-5-6-7-12(15)14-9-11-16-10-8-13/h3-4H,2,5-11,13H2,1H3,(H,14,15)/b4-3-
InChIKeyCBEWRHARCUUFSU-ARJAWSKDSA-N
MW228.34 g/mol
LogP1.21
Rot. Bonds10

About (Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide

(Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide (PubChem CID 168852504) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide
PubChem CID168852504
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide
SMILESCC/C=C\CCCC(=O)NCCOCCN
InChIInChI=1S/C12H24N2O2/c1-2-3-4-5-6-7-12(15)14-9-11-16-10-8-13/h3-4H,2,5-11,13H2,1H3,(H,14,15)/b4-3-
InChIKeyCBEWRHARCUUFSU-ARJAWSKDSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide?
The IUPAC name of (Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide (CID 168852504) is (Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide.
What is the SMILES notation for (Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide?
The canonical SMILES for (Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide is CC/C=C\CCCC(=O)NCCOCCN.
What is the InChIKey of (Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide?
The InChIKey is CBEWRHARCUUFSU-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-5-6-7-12(15)14-9-11-16-10-8-13/h3-4H,2,5-11,13H2,1H3,(H,14,15)/b4-3-.
What are the key properties of (Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide?
(Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide has a molecular weight of 228.34 g/mol, XLogP of 1.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide is sourced from PubChem (CID 168852504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).