N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine

C58H101NSi — CID 162290520

About N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine

N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine (PubChem CID 162290520) has the molecular formula C58H101NSi and a molecular weight of 840.54 g/mol. Its IUPAC name is N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine
• PubChem CID: 162290520
• Molecular Formula: C58H101NSi
• Molecular Weight: 840.54 g/mol
• Exact Mass: 839.77
• IUPAC Name: N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine
• SMILES: CCCCCCCCCCCCC1(CCCCCCCCCCCC)C2=CC3CCC([Si](C)(C)N(C(C)(C)C)C(C)(C)C)C3C=C2c2cc3c(cc21)C(C)(C)CCC3(C)C
• InChI: InChI=1S/C58H101NSi/c1-15-17-19-21-23-25-27-29-31-33-37-58(38-34-32-30-28-26-24-22-20-18-16-2)49-41-45-35-36-53(60(13,14)59(54(3,4)5)55(6,7)8)46(45)42-47(49)48-43-51-52(44-50(48)58)57(11,12)40-39-56(51,9)10/h41-46,53H,15-40H2,1-14H3
• InChIKey: ITJHZOJKHULYRO-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 24
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.54
LogP ≤ 5	18.73
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-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine?

The IUPAC name of N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine (CID 162290520) is N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine.

What is the SMILES notation for N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine?

The canonical SMILES for N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine is CCCCCCCCCCCCC1(CCCCCCCCCCCC)C2=CC3CCC([Si](C)(C)N(C(C)(C)C)C(C)(C)C)C3C=C2c2cc3c(cc21)C(C)(C)CCC3(C)C.

What is the InChIKey of N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine?

The InChIKey is ITJHZOJKHULYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H101NSi/c1-15-17-19-21-23-25-27-29-31-33-37-58(38-34-32-30-28-26-24-22-20-18-16-2)49-41-45-35-36-53(60(13,14)59(54(3,4)5)55(6,7)8)46(45)42-47(49)48-43-51-52(44-50(48)58)57(11,12)40-39-56(51,9)10/h41-46,53H,15-40H2,1-14H3.

What are the key properties of N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine?

N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine has a molecular weight of 840.54 g/mol, XLogP of 18.73, 24 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-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine is sourced from PubChem (CID 162290520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).