N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine

C57H97NSi — CID 162290212

About N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine

N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine (PubChem CID 162290212) has the molecular formula C57H97NSi and a molecular weight of 824.50 g/mol. Its IUPAC name is N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine.

Molecular Properties

• Compound Name: N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine
• PubChem CID: 162290212
• Molecular Formula: C57H97NSi
• Molecular Weight: 824.50 g/mol
• Exact Mass: 823.74
• IUPAC Name: N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine
• SMILES: CCCCCCCCCCC1(CCCCCCCCCC)C2=CC3C(C=C2c2cc4c(cc21)C(C)(C)CCC4(C)C)CC(C)C3[Si](C)(C)N(C1CCCCC1)C(C)(C)C
• InChI: InChI=1S/C57H97NSi/c1-13-15-17-19-21-23-25-30-34-57(35-31-26-24-22-20-18-16-14-2)49-40-46-44(38-43(3)53(46)59(11,12)58(54(4,5)6)45-32-28-27-29-33-45)39-47(49)48-41-51-52(42-50(48)57)56(9,10)37-36-55(51,7)8/h39-46,53H,13-38H2,1-12H3
• InChIKey: LFRFDTMDKLQWFM-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 21
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.50
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine?

The IUPAC name of N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine (CID 162290212) is N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine.

What is the SMILES notation for N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine?

The canonical SMILES for N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine is CCCCCCCCCCC1(CCCCCCCCCC)C2=CC3C(C=C2c2cc4c(cc21)C(C)(C)CCC4(C)C)CC(C)C3[Si](C)(C)N(C1CCCCC1)C(C)(C)C.

What is the InChIKey of N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine?

The InChIKey is LFRFDTMDKLQWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H97NSi/c1-13-15-17-19-21-23-25-30-34-57(35-31-26-24-22-20-18-16-14-2)49-40-46-44(38-43(3)53(46)59(11,12)58(54(4,5)6)45-32-28-27-29-33-45)39-47(49)48-41-51-52(42-50(48)57)56(9,10)37-36-55(51,7)8/h39-46,53H,13-38H2,1-12H3.

What are the key properties of N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine?

N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine has a molecular weight of 824.50 g/mol, XLogP of 17.95, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine is sourced from PubChem (CID 162290212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).