N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium

C26H33F3N3U- — CID 167492909

About N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium

N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium (PubChem CID 167492909) has the molecular formula C26H33F3N3U- and a molecular weight of 682.59 g/mol. Its IUPAC name is N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium.

Molecular Properties

• Compound Name: N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium
• PubChem CID: 167492909
• Molecular Formula: C26H33F3N3U-
• Molecular Weight: 682.59 g/mol
• Exact Mass: 682.31
• IUPAC Name: N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium
• SMILES: CCCCC(CC(C)CC)NC1=c2cnccc2=C(c2[c-]cc(C(F)(F)F)cc2)NCC1.[U]
• InChI: InChI=1S/C26H33F3N3.U/c1-4-6-7-21(16-18(3)5-2)32-24-13-15-31-25(22-12-14-30-17-23(22)24)19-8-10-20(11-9-19)26(27,28)29;/h8,10-12,14,17-18,21,31-32H,4-7,13,15-16H2,1-3H3;/q-1
• InChIKey: IXUVOCVQUUEQGO-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 36.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	682.59
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium?

The IUPAC name of N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium (CID 167492909) is N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium.

What is the SMILES notation for N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium?

The canonical SMILES for N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium is CCCCC(CC(C)CC)NC1=c2cnccc2=C(c2[c-]cc(C(F)(F)F)cc2)NCC1.[U].

What is the InChIKey of N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium?

The InChIKey is IXUVOCVQUUEQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N3.U/c1-4-6-7-21(16-18(3)5-2)32-24-13-15-31-25(22-12-14-30-17-23(22)24)19-8-10-20(11-9-19)26(27,28)29;/h8,10-12,14,17-18,21,31-32H,4-7,13,15-16H2,1-3H3;/q-1;.

What are the key properties of N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium?

N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium has a molecular weight of 682.59 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylnonan-5-yl)-5-[4-(trifluoromethyl)benzene-6-id-1-yl]-7,8-dihydro-6H-pyrido[4,3-c]azepin-9-amine;uranium is sourced from PubChem (CID 167492909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).