1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine

C16H42N2Si4 — CID 141400961

IUPAC1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine
SMILESC=CCC(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H42N2Si4/c1-14-15-16(17(19(2,3)4)20(5,6)7)18(21(8,9)10)22(11,12)13/h14,16H,1,15H2,2-13H3
InChIKeyFKZOYXLCUOUVMF-UHFFFAOYSA-N
MW374.87 g/mol
LogP5.83
Rot. Bonds8

About 1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine

1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine (PubChem CID 141400961) has the molecular formula C16H42N2Si4 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine
PubChem CID141400961
Molecular FormulaC16H42N2Si4
Molecular Weight374.87 g/mol
Exact Mass374.24
IUPAC Name1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine
SMILESC=CCC(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H42N2Si4/c1-14-15-16(17(19(2,3)4)20(5,6)7)18(21(8,9)10)22(11,12)13/h14,16H,1,15H2,2-13H3
InChIKeyFKZOYXLCUOUVMF-UHFFFAOYSA-N
XLogP5.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine (CID 141400961) is 1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine is C=CCC(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine?
The InChIKey is FKZOYXLCUOUVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H42N2Si4/c1-14-15-16(17(19(2,3)4)20(5,6)7)18(21(8,9)10)22(11,12)13/h14,16H,1,15H2,2-13H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine?
1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine has a molecular weight of 374.87 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetrakis(trimethylsilyl)but-3-ene-1,1-diamine is sourced from PubChem (CID 141400961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).