N-tert-butyl-N-[(11-dodecyl-6,11,15,15,18,18-hexamethyl-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

C48H81NSi — CID 162290510

About N-tert-butyl-N-[(11-dodecyl-6,11,15,15,18,18-hexamethyl-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-dodecyl-6,11,15,15,18,18-hexamethyl-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 162290510) has the molecular formula C48H81NSi and a molecular weight of 700.27 g/mol. Its IUPAC name is N-tert-butyl-N-[(11-dodecyl-6,11,15,15,18,18-hexamethyl-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-dodecyl-6,11,15,15,18,18-hexamethyl-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: 162290510
• Molecular Formula: C48H81NSi
• Molecular Weight: 700.27 g/mol
• Exact Mass: 699.61
• IUPAC Name: N-tert-butyl-N-[(11-dodecyl-6,11,15,15,18,18-hexamethyl-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: CCCCCCCCCCCCC1(C)C2=CC3C(C=C2c2cc4c(cc21)C(C)(C)CCC4(C)C)CC(C)C3[Si](C)(C)N(C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C48H81NSi/c1-16-17-18-19-20-21-22-23-24-25-26-48(13)39-31-36-35(29-34(2)43(36)50(14,15)49(44(3,4)5)45(6,7)8)30-37(39)38-32-41-42(33-40(38)48)47(11,12)28-27-46(41,9)10/h30-36,43H,16-29H2,1-15H3
• InChIKey: JLWQZRIDVDQHLD-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.27
LogP ≤ 5	14.69
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-dodecyl-6,11,15,15,18,18-hexamethyl-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-dodecyl-6,11,15,15,18,18-hexamethyl-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 162290510) is N-tert-butyl-N-[(11-dodecyl-6,11,15,15,18,18-hexamethyl-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-dodecyl-6,11,15,15,18,18-hexamethyl-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-dodecyl-6,11,15,15,18,18-hexamethyl-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 CCCCCCCCCCCCC1(C)C2=CC3C(C=C2c2cc4c(cc21)C(C)(C)CCC4(C)C)CC(C)C3[Si](C)(C)N(C(C)(C)C)C(C)(C)C.

What is the InChIKey of N-tert-butyl-N-[(11-dodecyl-6,11,15,15,18,18-hexamethyl-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 JLWQZRIDVDQHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H81NSi/c1-16-17-18-19-20-21-22-23-24-25-26-48(13)39-31-36-35(29-34(2)43(36)50(14,15)49(44(3,4)5)45(6,7)8)30-37(39)38-32-41-42(33-40(38)48)47(11,12)28-27-46(41,9)10/h30-36,43H,16-29H2,1-15H3.

What are the key properties of N-tert-butyl-N-[(11-dodecyl-6,11,15,15,18,18-hexamethyl-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-dodecyl-6,11,15,15,18,18-hexamethyl-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 700.27 g/mol, XLogP of 14.69, 13 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-dodecyl-6,11,15,15,18,18-hexamethyl-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 162290510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).