1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine

C26H57N3Si — CID 123754586

IUPAC1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine
SMILESCCCCN(CCCC)C([SiH3])=C(N(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C26H57N3Si/c1-7-13-19-27(20-14-8-2)25(28(21-15-9-3)22-16-10-4)26(30)29(23-17-11-5)24-18-12-6/h7-24H2,1-6,30H3
InChIKeyDSSXFPCBKUMCKF-UHFFFAOYSA-N
MW439.85 g/mol
LogP6.18
Rot. Bonds21

About 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine

1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine (PubChem CID 123754586) has the molecular formula C26H57N3Si and a molecular weight of 439.85 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine
PubChem CID123754586
Molecular FormulaC26H57N3Si
Molecular Weight439.85 g/mol
Exact Mass439.43
IUPAC Name1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine
SMILESCCCCN(CCCC)C([SiH3])=C(N(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C26H57N3Si/c1-7-13-19-27(20-14-8-2)25(28(21-15-9-3)22-16-10-4)26(30)29(23-17-11-5)24-18-12-6/h7-24H2,1-6,30H3
InChIKeyDSSXFPCBKUMCKF-UHFFFAOYSA-N
XLogP6.18
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.85
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine?
The IUPAC name of 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine (CID 123754586) is 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine?
The canonical SMILES for 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine is CCCCN(CCCC)C([SiH3])=C(N(CCCC)CCCC)N(CCCC)CCCC.
What is the InChIKey of 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine?
The InChIKey is DSSXFPCBKUMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57N3Si/c1-7-13-19-27(20-14-8-2)25(28(21-15-9-3)22-16-10-4)26(30)29(23-17-11-5)24-18-12-6/h7-24H2,1-6,30H3.
What are the key properties of 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine?
1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine has a molecular weight of 439.85 g/mol, XLogP of 6.18, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N',2-N,2-N-hexabutyl-2-silylethene-1,1,2-triamine is sourced from PubChem (CID 123754586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).