15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine

C31H24F3NO — CID 163489354

About 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine

15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine (PubChem CID 163489354) has the molecular formula C31H24F3NO and a molecular weight of 483.53 g/mol. Its IUPAC name is 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine.

Molecular Properties

• Compound Name: 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine
• PubChem CID: 163489354
• Molecular Formula: C31H24F3NO
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.18
• IUPAC Name: 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine
• SMILES: CC1(C)c2cc(N)ccc2-c2cc3c(cc21)-c1c(cc(C(F)(F)F)c2oc4ccccc4c12)C3(C)C
• InChI: InChI=1S/C31H24F3NO/c1-29(2)20-11-15(35)9-10-16(20)18-12-22-19(13-21(18)29)26-23(30(22,3)4)14-24(31(32,33)34)28-27(26)17-7-5-6-8-25(17)36-28/h5-14H,35H2,1-4H3
• InChIKey: CLGDMBPGQODTGU-UHFFFAOYSA-N
• XLogP: 8.80
• TPSA: 39.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine?

The IUPAC name of 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine (CID 163489354) is 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine.

What is the SMILES notation for 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine?

The canonical SMILES for 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine is CC1(C)c2cc(N)ccc2-c2cc3c(cc21)-c1c(cc(C(F)(F)F)c2oc4ccccc4c12)C3(C)C.

What is the InChIKey of 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine?

The InChIKey is CLGDMBPGQODTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3NO/c1-29(2)20-11-15(35)9-10-16(20)18-12-22-19(13-21(18)29)26-23(30(22,3)4)14-24(31(32,33)34)28-27(26)17-7-5-6-8-25(17)36-28/h5-14H,35H2,1-4H3.

What are the key properties of 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine?

15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine has a molecular weight of 483.53 g/mol, XLogP of 8.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15,25,25-tetramethyl-12-(trifluoromethyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2,4,6,8,11,13,17,19(24),20,22,26-dodecaen-22-amine is sourced from PubChem (CID 163489354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).