(NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine

C₁₆H₂₃NO₂ — CID 82927238

About (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine

(NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine (PubChem CID 82927238) has the molecular formula C₁₆H₂₃NO₂ and a molecular weight of 261.37 g/mol. Its IUPAC name is (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

• Compound Name: (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine
• PubChem CID: 82927238
• Molecular Formula: C₁₆H₂₃NO₂
• Molecular Weight: 261.37 g/mol
• Exact Mass: 261.17
• IUPAC Name: (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine
• SMILES: C/C(=N/O)c1cc(C)ccc1OC1CCCCCC1
• InChI: InChI=1S/C16H23NO2/c1-12-9-10-16(15(11-12)13(2)17-18)19-14-7-5-3-4-6-8-14/h9-11,14,18H,3-8H2,1-2H3/b17-13-
• InChIKey: HSXUSFIZEWYBMM-LGMDPLHJSA-N
• XLogP: 4.29
• TPSA: 41.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.37
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine?

The IUPAC name of (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine (CID 82927238) is (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine.

What is the SMILES notation for (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine?

The canonical SMILES for (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine is C/C(=N/O)c1cc(C)ccc1OC1CCCCCC1.

What is the InChIKey of (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine?

The InChIKey is HSXUSFIZEWYBMM-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-9-10-16(15(11-12)13(2)17-18)19-14-7-5-3-4-6-8-14/h9-11,14,18H,3-8H2,1-2H3/b17-13-.

What are the key properties of (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine?

(NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 261.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 82927238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82927238 — identifiers, structure, computed properties (public domain)

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