N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine

C60H47NO2 — CID 155088963

About N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine

N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine (PubChem CID 155088963) has the molecular formula C60H47NO2 and a molecular weight of 814.04 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
• PubChem CID: 155088963
• Molecular Formula: C60H47NO2
• Molecular Weight: 814.04 g/mol
• Exact Mass: 813.36
• IUPAC Name: N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
• SMILES: CC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4oc5ccccc5c24)C3(C)C)c2cc3c(c4ccccc24)-c2c(ccc4oc5ccccc5c24)C3(C)C)cc1
• InChI: InChI=1S/C60H47NO2/c1-58(2,3)34-24-26-35(27-25-34)61(46-32-44-52(38-18-10-8-16-36(38)46)56-42(59(44,4)5)28-30-50-54(56)40-20-12-14-22-48(40)62-50)47-33-45-53(39-19-11-9-17-37(39)47)57-43(60(45,6)7)29-31-51-55(57)41-21-13-15-23-49(41)63-51/h8-33H,1-7H3
• InChIKey: ITGBJIPCFPHUEF-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.04
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine?

The IUPAC name of N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine (CID 155088963) is N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine.

What is the SMILES notation for N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine?

The canonical SMILES for N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine is CC(C)(C)c1ccc(N(c2cc3c(c4ccccc24)-c2c(ccc4oc5ccccc5c24)C3(C)C)c2cc3c(c4ccccc24)-c2c(ccc4oc5ccccc5c24)C3(C)C)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine?

The InChIKey is ITGBJIPCFPHUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47NO2/c1-58(2,3)34-24-26-35(27-25-34)61(46-32-44-52(38-18-10-8-16-36(38)46)56-42(59(44,4)5)28-30-50-54(56)40-20-12-14-22-48(40)62-50)47-33-45-53(39-19-11-9-17-37(39)47)57-43(60(45,6)7)29-31-51-55(57)41-21-13-15-23-49(41)63-51/h8-33H,1-7H3.

What are the key properties of N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine?

N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine has a molecular weight of 814.04 g/mol, XLogP of 17.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine is sourced from PubChem (CID 155088963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).