(Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane

C30H69N3O9 — CID 145396347

About (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane

(Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane (PubChem CID 145396347) has the molecular formula C30H69N3O9 and a molecular weight of 615.89 g/mol. Its IUPAC name is (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane.

Molecular Properties

• Compound Name: (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane
• PubChem CID: 145396347
• Molecular Formula: C30H69N3O9
• Molecular Weight: 615.89 g/mol
• Exact Mass: 615.50
• IUPAC Name: (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane
• SMILES: CC.CC.CC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CC
• InChI: InChI=1S/C24H51N3O9.3C2H6/c1-3-24(25)23-27(26)5-6-29-9-10-31-13-14-33-17-18-35-21-22-36-20-19-34-16-15-32-12-11-30-8-7-28-4-2;3*1-2/h23H,3-22,25-26H2,1-2H3;3*1-2H3/b24-23-
• InChIKey: NHYJOWJCOWAPDR-JJIUPYLNSA-N
• XLogP: 3.62
• TPSA: 138.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.89
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane?

The IUPAC name of (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane (CID 145396347) is (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane.

What is the SMILES notation for (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane?

The canonical SMILES for (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane is CC.CC.CC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CC.

What is the InChIKey of (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane?

The InChIKey is NHYJOWJCOWAPDR-JJIUPYLNSA-N. The full InChI is InChI=1S/C24H51N3O9.3C2H6/c1-3-24(25)23-27(26)5-6-29-9-10-31-13-14-33-17-18-35-21-22-36-20-19-34-16-15-32-12-11-30-8-7-28-4-2;3*1-2/h23H,3-22,25-26H2,1-2H3;3*1-2H3/b24-23-;;;.

What are the key properties of (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane?

(Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane has a molecular weight of 615.89 g/mol, XLogP of 3.62, 30 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[amino-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]but-1-en-2-amine;ethane is sourced from PubChem (CID 145396347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).