N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine

C31H47NSi — CID 162267961

About N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine

N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine (PubChem CID 162267961) has the molecular formula C31H47NSi and a molecular weight of 461.81 g/mol. Its IUPAC name is N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine.

Molecular Properties

• Compound Name: N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine
• PubChem CID: 162267961
• Molecular Formula: C31H47NSi
• Molecular Weight: 461.81 g/mol
• Exact Mass: 461.35
• IUPAC Name: N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine
• SMILES: CC1CC2C=C3C(=CC2C1[Si](C)(C)N(C1CCCCC1)C(C)(C)C)C(C)(C)c1ccccc13
• InChI: InChI=1S/C31H47NSi/c1-21-18-22-19-26-24-16-12-13-17-27(24)31(5,6)28(26)20-25(22)29(21)33(7,8)32(30(2,3)4)23-14-10-9-11-15-23/h12-13,16-17,19-23,25,29H,9-11,14-15,18H2,1-8H3
• InChIKey: BADIWJKWRNSEML-UHFFFAOYSA-N
• XLogP: 8.58
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.81
LogP ≤ 5	8.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine?

The IUPAC name of N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine (CID 162267961) is N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine.

What is the SMILES notation for N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine?

The canonical SMILES for N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine is CC1CC2C=C3C(=CC2C1[Si](C)(C)N(C1CCCCC1)C(C)(C)C)C(C)(C)c1ccccc13.

What is the InChIKey of N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine?

The InChIKey is BADIWJKWRNSEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47NSi/c1-21-18-22-19-26-24-16-12-13-17-27(24)31(5,6)28(26)20-25(22)29(21)33(7,8)32(30(2,3)4)23-14-10-9-11-15-23/h12-13,16-17,19-23,25,29H,9-11,14-15,18H2,1-8H3.

What are the key properties of N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine?

N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine has a molecular weight of 461.81 g/mol, XLogP of 8.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-N-[dimethyl-(2,9,9-trimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)silyl]cyclohexanamine is sourced from PubChem (CID 162267961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).