HFTXNXGVAINTEF-KPKJPENVSA-N

C₁₁H₂₁NO₂ — CID 59249323

About HFTXNXGVAINTEF-KPKJPENVSA-N

HFTXNXGVAINTEF-KPKJPENVSA-N (PubChem CID 59249323) has the molecular formula C₁₁H₂₁NO₂ and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 2-(3-methylbutylideneamino)acetate.

Molecular Properties

• Compound Name: HFTXNXGVAINTEF-KPKJPENVSA-N
• PubChem CID: 59249323
• Molecular Formula: C₁₁H₂₁NO₂
• Molecular Weight: 199.29 g/mol
• Exact Mass: 199.16
• IUPAC Name: tert-butyl 2-(3-methylbutylideneamino)acetate
• SMILES: CC(C)C/C=N/CC(=O)OC(C)(C)C
• InChI: InChI=1S/C11H21NO2/c1-9(2)6-7-12-8-10(13)14-11(3,4)5/h7,9H,6,8H2,1-5H3/b12-7+
• InChIKey: HFTXNXGVAINTEF-KPKJPENVSA-N
• XLogP: 2.44
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.29
LogP ≤ 5	2.44
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 HFTXNXGVAINTEF-KPKJPENVSA-N?

The IUPAC name of HFTXNXGVAINTEF-KPKJPENVSA-N (CID 59249323) is tert-butyl 2-(3-methylbutylideneamino)acetate.

What is the SMILES notation for HFTXNXGVAINTEF-KPKJPENVSA-N?

The canonical SMILES for HFTXNXGVAINTEF-KPKJPENVSA-N is CC(C)C/C=N/CC(=O)OC(C)(C)C.

What is the InChIKey of HFTXNXGVAINTEF-KPKJPENVSA-N?

The InChIKey is HFTXNXGVAINTEF-KPKJPENVSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)6-7-12-8-10(13)14-11(3,4)5/h7,9H,6,8H2,1-5H3/b12-7+.

What are the key properties of HFTXNXGVAINTEF-KPKJPENVSA-N?

HFTXNXGVAINTEF-KPKJPENVSA-N has a molecular weight of 199.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for HFTXNXGVAINTEF-KPKJPENVSA-N is sourced from PubChem (CID 59249323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59249323 — identifiers, structure, computed properties (public domain)

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