N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide

C₁₃H₁₆N₂ — CID 154981746

About N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide

N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide (PubChem CID 154981746) has the molecular formula C₁₃H₁₆N₂ and a molecular weight of 200.28 g/mol. Its IUPAC name is N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide.

Molecular Properties

• Compound Name: N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide
• PubChem CID: 154981746
• Molecular Formula: C₁₃H₁₆N₂
• Molecular Weight: 200.28 g/mol
• Exact Mass: 200.13
• IUPAC Name: N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide
• SMILES: C/C(N)=N\CC1=CC=CC2C=CC=CC12
• InChI: InChI=1S/C13H16N2/c1-10(14)15-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,11,13H,9H2,1H3,(H2,14,15)
• InChIKey: STXBAONGWDBOTO-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.28
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide?

The IUPAC name of N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide (CID 154981746) is N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide.

What is the SMILES notation for N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide?

The canonical SMILES for N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide is C/C(N)=N\CC1=CC=CC2C=CC=CC12.

What is the InChIKey of N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide?

The InChIKey is STXBAONGWDBOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(14)15-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,11,13H,9H2,1H3,(H2,14,15).

What are the key properties of N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide?

N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide has a molecular weight of 200.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4a,8a-dihydronaphthalen-1-ylmethyl)ethanimidamide is sourced from PubChem (CID 154981746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154981746 — identifiers, structure, computed properties (public domain)

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