N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine

C40H65NSi — CID 162278948

About N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine

N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine (PubChem CID 162278948) has the molecular formula C40H65NSi and a molecular weight of 588.05 g/mol. Its IUPAC name is N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine.

Molecular Properties

• Compound Name: N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine
• PubChem CID: 162278948
• Molecular Formula: C40H65NSi
• Molecular Weight: 588.05 g/mol
• Exact Mass: 587.49
• IUPAC Name: N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine
• SMILES: CCCCC1(CCCC)C2=CC3C(C=C2c2ccc(C(C)(C)C)cc21)CCC3[Si](C)(C)N(C1CCCCC1)C(C)(C)C
• InChI: InChI=1S/C40H65NSi/c1-11-13-24-40(25-14-12-2)35-27-30(38(3,4)5)21-22-32(35)34-26-29-20-23-37(33(29)28-36(34)40)42(9,10)41(39(6,7)8)31-18-16-15-17-19-31/h21-22,26-29,31,33,37H,11-20,23-25H2,1-10H3
• InChIKey: DYGAMRDSFFHVBL-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.05
LogP ≤ 5	11.97
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-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine?

The IUPAC name of N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine (CID 162278948) is N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine.

What is the SMILES notation for N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine?

The canonical SMILES for N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine is CCCCC1(CCCC)C2=CC3C(C=C2c2ccc(C(C)(C)C)cc21)CCC3[Si](C)(C)N(C1CCCCC1)C(C)(C)C.

What is the InChIKey of N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine?

The InChIKey is DYGAMRDSFFHVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H65NSi/c1-11-13-24-40(25-14-12-2)35-27-30(38(3,4)5)21-22-32(35)34-26-29-20-23-37(33(29)28-36(34)40)42(9,10)41(39(6,7)8)31-18-16-15-17-19-31/h21-22,26-29,31,33,37H,11-20,23-25H2,1-10H3.

What are the key properties of N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine?

N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine has a molecular weight of 588.05 g/mol, XLogP of 11.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine is sourced from PubChem (CID 162278948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).