N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine

C67H57NO2 — CID 167112678

About N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine

N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine (PubChem CID 167112678) has the molecular formula C67H57NO2 and a molecular weight of 908.20 g/mol. Its IUPAC name is N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine.

Molecular Properties

• Compound Name: N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine
• PubChem CID: 167112678
• Molecular Formula: C67H57NO2
• Molecular Weight: 908.20 g/mol
• Exact Mass: 907.44
• IUPAC Name: N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine
• SMILES: Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4c(C)cc(C)cc4C)c4oc5ccccc5c4c2-3)C2C=CC3=C(C2)C(C)(C)c2cc4c(cc23)C(C)(C)c2ccc3oc5ccccc5c3c2-4)cc1
• InChI: InChI=1S/C67H57NO2/c1-36-19-21-40(22-20-36)68(42-24-26-44-52(32-42)67(9,10)55-35-49(59-38(3)29-37(2)30-39(59)4)64-63(60(44)55)46-16-12-14-18-57(46)70-64)41-23-25-43-47-33-54-48(34-53(47)66(7,8)51(43)31-41)61-50(65(54,5)6)27-28-58-62(61)45-15-11-13-17-56(45)69-58/h11-30,32-35,41H,31H2,1-10H3
• InChIKey: RYZSMQOCMQOECU-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.20
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine?

The IUPAC name of N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine (CID 167112678) is N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine.

What is the SMILES notation for N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine?

The canonical SMILES for N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine is Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4c(C)cc(C)cc4C)c4oc5ccccc5c4c2-3)C2C=CC3=C(C2)C(C)(C)c2cc4c(cc23)C(C)(C)c2ccc3oc5ccccc5c3c2-4)cc1.

What is the InChIKey of N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine?

The InChIKey is RYZSMQOCMQOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H57NO2/c1-36-19-21-40(22-20-36)68(42-24-26-44-52(32-42)67(9,10)55-35-49(59-38(3)29-37(2)30-39(59)4)64-63(60(44)55)46-16-12-14-18-57(46)70-64)41-23-25-43-47-33-54-48(34-53(47)66(7,8)51(43)31-41)61-50(65(54,5)6)27-28-58-62(61)45-15-11-13-17-56(45)69-58/h11-30,32-35,41H,31H2,1-10H3.

What are the key properties of N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine?

N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine has a molecular weight of 908.20 g/mol, XLogP of 18.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine is sourced from PubChem (CID 167112678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).