6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium

C30H40F6N5OU- — CID 171493107

About 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium

6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium (PubChem CID 171493107) has the molecular formula C30H40F6N5OU- and a molecular weight of 838.70 g/mol. Its IUPAC name is 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium.

Molecular Properties

• Compound Name: 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium
• PubChem CID: 171493107
• Molecular Formula: C30H40F6N5OU-
• Molecular Weight: 838.70 g/mol
• Exact Mass: 838.37
• IUPAC Name: 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium
• SMILES: [H]/[C-]=C(\CCNC1c2n[nH]c(=O)c(C(F)(F)F)c2CC1(C)C)N(CCC)CCCCC/C1=N/C=C(C(F)(F)F)\C=C/CC1.[U]
• InChI: InChI=1S/C30H40F6N5O.U/c1-5-16-41(17-10-6-7-12-22-13-9-8-11-21(19-38-22)29(31,32)33)20(2)14-15-37-26-25-23(18-28(26,3)4)24(30(34,35)36)27(42)40-39-25;/h2,8,11,19,26,37H,5-7,9-10,12-18H2,1,3-4H3,(H,40,42);/q-1;/b11-8-,21-19+,38-22-
• InChIKey: PLVYTQWNQIBETQ-GJCDWXFWSA-N
• XLogP: 7.22
• TPSA: 73.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.70
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium?

The IUPAC name of 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium (CID 171493107) is 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium.

What is the SMILES notation for 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium?

The canonical SMILES for 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium is [H]/[C-]=C(\CCNC1c2n[nH]c(=O)c(C(F)(F)F)c2CC1(C)C)N(CCC)CCCCC/C1=N/C=C(C(F)(F)F)\C=C/CC1.[U].

What is the InChIKey of 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium?

The InChIKey is PLVYTQWNQIBETQ-GJCDWXFWSA-N. The full InChI is InChI=1S/C30H40F6N5O.U/c1-5-16-41(17-10-6-7-12-22-13-9-8-11-21(19-38-22)29(31,32)33)20(2)14-15-37-26-25-23(18-28(26,3)4)24(30(34,35)36)27(42)40-39-25;/h2,8,11,19,26,37H,5-7,9-10,12-18H2,1,3-4H3,(H,40,42);/q-1;/b11-8-,21-19+,38-22-;.

What are the key properties of 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium?

6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium has a molecular weight of 838.70 g/mol, XLogP of 7.22, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-dimethyl-7-[3-[propyl-[5-[(5Z,7E)-7-(trifluoromethyl)-3,4-dihydroazocin-2-yl]pentyl]amino]but-3-enylamino]-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one;uranium is sourced from PubChem (CID 171493107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).