6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine

C₁₄H₂₃N₃ — CID 144812738

About 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine

6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine (PubChem CID 144812738) has the molecular formula C₁₄H₂₃N₃ and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine.

Molecular Properties

• Compound Name: 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine
• PubChem CID: 144812738
• Molecular Formula: C₁₄H₂₃N₃
• Molecular Weight: 233.36 g/mol
• Exact Mass: 233.19
• IUPAC Name: 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine
• SMILES: [H]/N=C1\C=CC(C)(C(C)C)C=NN1/C=C\C(C)C
• InChI: InChI=1S/C14H23N3/c1-11(2)7-9-17-13(15)6-8-14(5,10-16-17)12(3)4/h6-12,15H,1-5H3/b9-7-,15-13+
• InChIKey: SSUHWAHEGQREBL-JCCJWXFJSA-N
• XLogP: 3.65
• TPSA: 39.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.36
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine?

The IUPAC name of 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine (CID 144812738) is 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine.

What is the SMILES notation for 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine?

The canonical SMILES for 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine is [H]/N=C1\C=CC(C)(C(C)C)C=NN1/C=C\C(C)C.

What is the InChIKey of 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine?

The InChIKey is SSUHWAHEGQREBL-JCCJWXFJSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)7-9-17-13(15)6-8-14(5,10-16-17)12(3)4/h6-12,15H,1-5H3/b9-7-,15-13+.

What are the key properties of 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine?

6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine has a molecular weight of 233.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine is sourced from PubChem (CID 144812738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144812738 — identifiers, structure, computed properties (public domain)

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