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

C54H93NSi — CID 162290203

About N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-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-didecyl-15,15,18,18-tetramethyl-7-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 162290203) has the molecular formula C54H93NSi and a molecular weight of 784.43 g/mol. Its IUPAC name is N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-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-didecyl-15,15,18,18-tetramethyl-7-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: 162290203
• Molecular Formula: C54H93NSi
• Molecular Weight: 784.43 g/mol
• Exact Mass: 783.71
• IUPAC Name: N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-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: CCCCCCCCCCC1(CCCCCCCCCC)C2=CC3C(C=C2c2cc4c(cc21)C(C)(C)CCC4(C)C)CCC3[Si](C)(C)N(C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C54H93NSi/c1-15-17-19-21-23-25-27-29-33-54(34-30-28-26-24-22-20-18-16-2)45-38-42-41(31-32-49(42)56(13,14)55(50(3,4)5)51(6,7)8)37-43(45)44-39-47-48(40-46(44)54)53(11,12)36-35-52(47,9)10/h37-42,49H,15-36H2,1-14H3
• InChIKey: SUTSWIAJNSQAQZ-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 20
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.43
LogP ≤ 5	17.17
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-15,15,18,18-tetramethyl-7-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-didecyl-15,15,18,18-tetramethyl-7-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 162290203) is N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-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-didecyl-15,15,18,18-tetramethyl-7-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-didecyl-15,15,18,18-tetramethyl-7-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 CCCCCCCCCCC1(CCCCCCCCCC)C2=CC3C(C=C2c2cc4c(cc21)C(C)(C)CCC4(C)C)CCC3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.

What is the InChIKey of N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-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 SUTSWIAJNSQAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H93NSi/c1-15-17-19-21-23-25-27-29-33-54(34-30-28-26-24-22-20-18-16-2)45-38-42-41(31-32-49(42)56(13,14)55(50(3,4)5)51(6,7)8)37-43(45)44-39-47-48(40-46(44)54)53(11,12)36-35-52(47,9)10/h37-42,49H,15-36H2,1-14H3.

What are the key properties of N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-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-didecyl-15,15,18,18-tetramethyl-7-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 784.43 g/mol, XLogP of 17.17, 20 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-15,15,18,18-tetramethyl-7-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 162290203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).