1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine

C25H41FN2 — CID 134593997

About 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine

1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine (PubChem CID 134593997) has the molecular formula C25H41FN2 and a molecular weight of 388.62 g/mol. Its IUPAC name is 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine.

Molecular Properties

• Compound Name: 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine
• PubChem CID: 134593997
• Molecular Formula: C25H41FN2
• Molecular Weight: 388.62 g/mol
• Exact Mass: 388.33
• IUPAC Name: 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine
• SMILES: C/C=C\C(=C/F)C(C)/C(=C\C(CN1CCC(NC)CC1)=C(/C)CCC)C1CC1
• InChI: InChI=1S/C25H41FN2/c1-6-8-19(3)23(18-28-14-12-24(27-5)13-15-28)16-25(21-10-11-21)20(4)22(17-26)9-7-2/h7,9,16-17,20-21,24,27H,6,8,10-15,18H2,1-5H3/b9-7-,22-17+,23-19-,25-16+
• InChIKey: OJZUNULEURIZBL-FSHKZOJBSA-N
• XLogP: 6.19
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.62
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine?

The IUPAC name of 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine (CID 134593997) is 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine.

What is the SMILES notation for 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine?

The canonical SMILES for 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine is C/C=C\C(=C/F)C(C)/C(=C\C(CN1CCC(NC)CC1)=C(/C)CCC)C1CC1.

What is the InChIKey of 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine?

The InChIKey is OJZUNULEURIZBL-FSHKZOJBSA-N. The full InChI is InChI=1S/C25H41FN2/c1-6-8-19(3)23(18-28-14-12-24(27-5)13-15-28)16-25(21-10-11-21)20(4)22(17-26)9-7-2/h7,9,16-17,20-21,24,27H,6,8,10-15,18H2,1-5H3/b9-7-,22-17+,23-19-,25-16+.

What are the key properties of 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine?

1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine has a molecular weight of 388.62 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 134593997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).