(Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine

C₉H₂₀N₂O — CID 138614649

About (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine

(Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine (PubChem CID 138614649) has the molecular formula C₉H₂₀N₂O and a molecular weight of 172.27 g/mol. Its IUPAC name is (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine.

Molecular Properties

• Compound Name: (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine
• PubChem CID: 138614649
• Molecular Formula: C₉H₂₀N₂O
• Molecular Weight: 172.27 g/mol
• Exact Mass: 172.16
• IUPAC Name: (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine
• SMILES: CC/C=C(/C)NCCOCCN
• InChI: InChI=1S/C9H20N2O/c1-3-4-9(2)11-6-8-12-7-5-10/h4,11H,3,5-8,10H2,1-2H3/b9-4-
• InChIKey: YZUZDYKMTHLNBK-WTKPLQERSA-N
• XLogP: 0.87
• TPSA: 47.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	172.27
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine?

The IUPAC name of (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine (CID 138614649) is (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine.

What is the SMILES notation for (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine?

The canonical SMILES for (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine is CC/C=C(/C)NCCOCCN.

What is the InChIKey of (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine?

The InChIKey is YZUZDYKMTHLNBK-WTKPLQERSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-4-9(2)11-6-8-12-7-5-10/h4,11H,3,5-8,10H2,1-2H3/b9-4-.

What are the key properties of (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine?

(Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine has a molecular weight of 172.27 g/mol, XLogP of 0.87, 7 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]pent-2-en-2-amine is sourced from PubChem (CID 138614649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 138614649 — identifiers, structure, computed properties (public domain)

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