N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine

C29H24F39NSi — CID 122383089

About N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine

N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine (PubChem CID 122383089) has the molecular formula C29H24F39NSi and a molecular weight of 1155.53 g/mol. Its IUPAC name is N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine
• PubChem CID: 122383089
• Molecular Formula: C29H24F39NSi
• Molecular Weight: 1155.53 g/mol
• Exact Mass: 1155.11
• IUPAC Name: N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine
• SMILES: CN(C)CCC[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C29H24F39NSi/c1-69(2)7-3-8-70(9-4-12(30,31)15(36,37)18(42,43)21(48,49)24(54,55)27(60,61)62,10-5-13(32,33)16(38,39)19(44,45)22(50,51)25(56,57)28(63,64)65)11-6-14(34,35)17(40,41)20(46,47)23(52,53)26(58,59)29(66,67)68/h3-11H2,1-2H3
• InChIKey: SUWHIQYOXQMPAM-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 25
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.53
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine?

The IUPAC name of N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine (CID 122383089) is N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine.

What is the SMILES notation for N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine?

The canonical SMILES for N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine is CN(C)CCC[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine?

The InChIKey is SUWHIQYOXQMPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F39NSi/c1-69(2)7-3-8-70(9-4-12(30,31)15(36,37)18(42,43)21(48,49)24(54,55)27(60,61)62,10-5-13(32,33)16(38,39)19(44,45)22(50,51)25(56,57)28(63,64)65)11-6-14(34,35)17(40,41)20(46,47)23(52,53)26(58,59)29(66,67)68/h3-11H2,1-2H3.

What are the key properties of N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine?

N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine has a molecular weight of 1155.53 g/mol, XLogP of 15.77, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propan-1-amine is sourced from PubChem (CID 122383089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).