Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)

C₁₆H₃₃N₃O₂W — CID 156795287

About Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)

Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+) (PubChem CID 156795287) has the molecular formula C₁₆H₃₃N₃O₂W and a molecular weight of 483.30 g/mol. Its IUPAC name is dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+).

Molecular Properties

• Compound Name: Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)
• PubChem CID: 156795287
• Molecular Formula: C₁₆H₃₃N₃O₂W
• Molecular Weight: 483.30 g/mol
• Exact Mass: 483.21
• IUPAC Name: dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)
• SMILES: C=C(NCC1CN(CCOC[CH2-])CCO1)C(C)C.C[N-]C.[W+2]
• InChI: InChI=1S/C14H27N2O2.C2H6N.W/c1-5-17-8-6-16-7-9-18-14(11-16)10-15-13(4)12(2)3;1-3-2;/h12,14-15H,1,4-11H2,2-3H3;1-2H3;/q2*-1;+2
• InChIKey: ORJHKZCWVSBUKE-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 47.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.30
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)?

The IUPAC name of Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+) (CID 156795287) is dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+).

What is the SMILES notation for Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)?

The canonical SMILES for Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+) is C=C(NCC1CN(CCOC[CH2-])CCO1)C(C)C.C[N-]C.[W+2].

What is the InChIKey of Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)?

The InChIKey is ORJHKZCWVSBUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2O2.C2H6N.W/c1-5-17-8-6-16-7-9-18-14(11-16)10-15-13(4)12(2)3;1-3-2;/h12,14-15H,1,4-11H2,2-3H3;1-2H3;/q2*-1;+2.

What are the key properties of Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+)?

Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+) has a molecular weight of 483.30 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Dimethylazanide;N-[[4-(2-ethoxyethyl)morpholin-2-yl]methyl]-3-methylbut-1-en-2-amine;tungsten(2+) is sourced from PubChem (CID 156795287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156795287 — identifiers, structure, computed properties (public domain)

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