(Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine

C₁₂H₂₃N — CID 59180017

About (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine

(Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine (PubChem CID 59180017) has the molecular formula C₁₂H₂₃N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine.

Molecular Properties

• Compound Name: (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine
• PubChem CID: 59180017
• Molecular Formula: C₁₂H₂₃N
• Molecular Weight: 181.32 g/mol
• Exact Mass: 181.18
• IUPAC Name: (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine
• SMILES: C/C(=C/C=N/C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C12H23N/c1-10(11(2,3)4)8-9-13-12(5,6)7/h8-9H,1-7H3/b10-8-,13-9+
• InChIKey: QIRCWPDOWWEPQU-KKCPJAHZSA-N
• XLogP: 3.85
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.32
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine?

The IUPAC name of (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine (CID 59180017) is (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine.

What is the SMILES notation for (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine?

The canonical SMILES for (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine is C/C(=C/C=N/C(C)(C)C)C(C)(C)C.

What is the InChIKey of (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine?

The InChIKey is QIRCWPDOWWEPQU-KKCPJAHZSA-N. The full InChI is InChI=1S/C12H23N/c1-10(11(2,3)4)8-9-13-12(5,6)7/h8-9H,1-7H3/b10-8-,13-9+.

What are the key properties of (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine?

(Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine is sourced from PubChem (CID 59180017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59180017 — identifiers, structure, computed properties (public domain)

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