NWFDUFDVGPIMKP-XNTDXEJSSA-N

C₁₄H₂₅NO₂ — CID 59249324

About NWFDUFDVGPIMKP-XNTDXEJSSA-N

NWFDUFDVGPIMKP-XNTDXEJSSA-N (PubChem CID 59249324) has the molecular formula C₁₄H₂₅NO₂ and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclohexylethylideneamino)acetate.

Molecular Properties

• Compound Name: NWFDUFDVGPIMKP-XNTDXEJSSA-N
• PubChem CID: 59249324
• Molecular Formula: C₁₄H₂₅NO₂
• Molecular Weight: 239.36 g/mol
• Exact Mass: 239.19
• IUPAC Name: tert-butyl 2-(2-cyclohexylethylideneamino)acetate
• SMILES: CC(C)(C)OC(=O)C/N=C/CC1CCCCC1
• InChI: InChI=1S/C14H25NO2/c1-14(2,3)17-13(16)11-15-10-9-12-7-5-4-6-8-12/h10,12H,4-9,11H2,1-3H3/b15-10+
• InChIKey: NWFDUFDVGPIMKP-XNTDXEJSSA-N
• XLogP: 3.37
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.36
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of NWFDUFDVGPIMKP-XNTDXEJSSA-N?

The IUPAC name of NWFDUFDVGPIMKP-XNTDXEJSSA-N (CID 59249324) is tert-butyl 2-(2-cyclohexylethylideneamino)acetate.

What is the SMILES notation for NWFDUFDVGPIMKP-XNTDXEJSSA-N?

The canonical SMILES for NWFDUFDVGPIMKP-XNTDXEJSSA-N is CC(C)(C)OC(=O)C/N=C/CC1CCCCC1.

What is the InChIKey of NWFDUFDVGPIMKP-XNTDXEJSSA-N?

The InChIKey is NWFDUFDVGPIMKP-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,3)17-13(16)11-15-10-9-12-7-5-4-6-8-12/h10,12H,4-9,11H2,1-3H3/b15-10+.

What are the key properties of NWFDUFDVGPIMKP-XNTDXEJSSA-N?

NWFDUFDVGPIMKP-XNTDXEJSSA-N has a molecular weight of 239.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for NWFDUFDVGPIMKP-XNTDXEJSSA-N is sourced from PubChem (CID 59249324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59249324 — identifiers, structure, computed properties (public domain)

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