N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-phenyl-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

C60H97NSi — CID 162284694

About N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-phenyl-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-didecyl-15,15,18,18-tetramethyl-7-phenyl-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 162284694) has the molecular formula C60H97NSi and a molecular weight of 860.53 g/mol. Its IUPAC name is N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-phenyl-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-didecyl-15,15,18,18-tetramethyl-7-phenyl-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: 162284694
• Molecular Formula: C60H97NSi
• Molecular Weight: 860.53 g/mol
• Exact Mass: 859.74
• IUPAC Name: N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-phenyl-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: CCCCCCCCCCC1(CCCCCCCCCC)C2=CC3C(c4ccccc4)CC([Si](C)(C)N(C(C)(C)C)C(C)(C)C)C3C=C2c2cc3c(cc21)C(C)(C)CCC3(C)C
• InChI: InChI=1S/C60H97NSi/c1-15-17-19-21-23-25-27-32-36-60(37-33-28-26-24-22-20-18-16-2)51-41-47-46(45-34-30-29-31-35-45)43-55(62(13,14)61(56(3,4)5)57(6,7)8)50(47)40-48(51)49-42-53-54(44-52(49)60)59(11,12)39-38-58(53,9)10/h29-31,34-35,40-42,44,46-47,50,55H,15-28,32-33,36-39,43H2,1-14H3
• InChIKey: CDQPIQVYILADIX-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 21
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.53
LogP ≤ 5	18.57
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-phenyl-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-didecyl-15,15,18,18-tetramethyl-7-phenyl-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 162284694) is N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-phenyl-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-didecyl-15,15,18,18-tetramethyl-7-phenyl-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-didecyl-15,15,18,18-tetramethyl-7-phenyl-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 CCCCCCCCCCC1(CCCCCCCCCC)C2=CC3C(c4ccccc4)CC([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-didecyl-15,15,18,18-tetramethyl-7-phenyl-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 CDQPIQVYILADIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H97NSi/c1-15-17-19-21-23-25-27-32-36-60(37-33-28-26-24-22-20-18-16-2)51-41-47-46(45-34-30-29-31-35-45)43-55(62(13,14)61(56(3,4)5)57(6,7)8)50(47)40-48(51)49-42-53-54(44-52(49)60)59(11,12)39-38-58(53,9)10/h29-31,34-35,40-42,44,46-47,50,55H,15-28,32-33,36-39,43H2,1-14H3.

What are the key properties of N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-phenyl-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-didecyl-15,15,18,18-tetramethyl-7-phenyl-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 860.53 g/mol, XLogP of 18.57, 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-15,15,18,18-tetramethyl-7-phenyl-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 162284694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).