(Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine

C43H97N11 — CID 10219068

About (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine

(Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine (PubChem CID 10219068) has the molecular formula C43H97N11 and a molecular weight of 768.33 g/mol. Its IUPAC name is (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine.

Molecular Properties

• Compound Name: (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine
• PubChem CID: 10219068
• Molecular Formula: C43H97N11
• Molecular Weight: 768.33 g/mol
• Exact Mass: 767.79
• IUPAC Name: (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine
• SMILES: CCNCCCCNCCCCNCCCCNCCCCNC/C=C(/CNCC)CNCCCCNCCCCNCCCCNCCCCNCC
• InChI: InChI=1S/C43H97N11/c1-4-44-24-7-9-26-47-28-11-13-30-49-32-15-16-34-51-36-19-20-38-53-40-23-43(41-46-6-3)42-54-39-22-21-37-52-35-18-17-33-50-31-14-12-29-48-27-10-8-25-45-5-2/h23,44-54H,4-22,24-42H2,1-3H3/b43-23-
• InChIKey: ATYBVTAEKKBHCQ-IYVXLEGESA-N
• XLogP: 3.70
• TPSA: 132.33 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 49
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	768.33
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine?

The IUPAC name of (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine (CID 10219068) is (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine.

What is the SMILES notation for (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine?

The canonical SMILES for (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine is CCNCCCCNCCCCNCCCCNCCCCNC/C=C(/CNCC)CNCCCCNCCCCNCCCCNCCCCNCC.

What is the InChIKey of (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine?

The InChIKey is ATYBVTAEKKBHCQ-IYVXLEGESA-N. The full InChI is InChI=1S/C43H97N11/c1-4-44-24-7-9-26-47-28-11-13-30-49-32-15-16-34-51-36-19-20-38-53-40-23-43(41-46-6-3)42-54-39-22-21-37-52-35-18-17-33-50-31-14-12-29-48-27-10-8-25-45-5-2/h23,44-54H,4-22,24-42H2,1-3H3/b43-23-.

What are the key properties of (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine?

(Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine has a molecular weight of 768.33 g/mol, XLogP of 3.70, 49 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-ethyl-N'-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]but-2-ene-1,4-diamine is sourced from PubChem (CID 10219068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).