hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine

C21H32N+ — CID 101175242

About hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine

hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine (PubChem CID 101175242) has the molecular formula C21H32N+ and a molecular weight of 298.49 g/mol. Its IUPAC name is hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine.

Molecular Properties

• Compound Name: hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine
• PubChem CID: 101175242
• Molecular Formula: C21H32N+
• Molecular Weight: 298.49 g/mol
• Exact Mass: 298.25
• IUPAC Name: hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine
• SMILES: C/N=C/C=C1/C=CC(C(C)/C=C/C2=C(C)CCCC2(C)C)C1.[H+]
• InChI: InChI=1S/C21H31N/c1-16(19-10-9-18(15-19)12-14-22-5)8-11-20-17(2)7-6-13-21(20,3)4/h8-12,14,16,19H,6-7,13,15H2,1-5H3/p+1/b11-8+,18-12-,22-14+
• InChIKey: MRNQTRCGQQSCIQ-HXIKGRHQSA-O
• XLogP: 6.02
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	298.49
LogP ≤ 5	6.02
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 hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine?

The IUPAC name of hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine (CID 101175242) is hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine.

What is the SMILES notation for hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine?

The canonical SMILES for hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine is C/N=C/C=C1/C=CC(C(C)/C=C/C2=C(C)CCCC2(C)C)C1.[H+].

What is the InChIKey of hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine?

The InChIKey is MRNQTRCGQQSCIQ-HXIKGRHQSA-O. The full InChI is InChI=1S/C21H31N/c1-16(19-10-9-18(15-19)12-14-22-5)8-11-20-17(2)7-6-13-21(20,3)4/h8-12,14,16,19H,6-7,13,15H2,1-5H3/p+1/b11-8+,18-12-,22-14+.

What are the key properties of hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine?

hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine has a molecular weight of 298.49 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for hydron;(2E)-N-methyl-2-[4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]cyclopent-2-en-1-ylidene]ethanimine is sourced from PubChem (CID 101175242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).