3-triisocyanatosilylpropan-1-amine

C6H8N4O3Si — CID 18954123

IUPAC3-triisocyanatosilylpropan-1-amine
SMILESNCCC[Si](N=C=O)(N=C=O)N=C=O
InChIInChI=1S/C6H8N4O3Si/c7-2-1-3-14(8-4-11,9-5-12)10-6-13/h1-3,7H2
InChIKeyGGAITQUVFBCXNP-UHFFFAOYSA-N
MW212.24 g/mol
LogP-0.72
Rot. Bonds6

About 3-triisocyanatosilylpropan-1-amine

3-triisocyanatosilylpropan-1-amine (PubChem CID 18954123) has the molecular formula C6H8N4O3Si and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-triisocyanatosilylpropan-1-amine.

Molecular Properties

Compound Name3-triisocyanatosilylpropan-1-amine
PubChem CID18954123
Molecular FormulaC6H8N4O3Si
Molecular Weight212.24 g/mol
Exact Mass212.04
IUPAC Name3-triisocyanatosilylpropan-1-amine
SMILESNCCC[Si](N=C=O)(N=C=O)N=C=O
InChIInChI=1S/C6H8N4O3Si/c7-2-1-3-14(8-4-11,9-5-12)10-6-13/h1-3,7H2
InChIKeyGGAITQUVFBCXNP-UHFFFAOYSA-N
XLogP-0.72
TPSA114.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-triisocyanatosilylpropan-1-amine?
The IUPAC name of 3-triisocyanatosilylpropan-1-amine (CID 18954123) is 3-triisocyanatosilylpropan-1-amine.
What is the SMILES notation for 3-triisocyanatosilylpropan-1-amine?
The canonical SMILES for 3-triisocyanatosilylpropan-1-amine is NCCC[Si](N=C=O)(N=C=O)N=C=O.
What is the InChIKey of 3-triisocyanatosilylpropan-1-amine?
The InChIKey is GGAITQUVFBCXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3Si/c7-2-1-3-14(8-4-11,9-5-12)10-6-13/h1-3,7H2.
What are the key properties of 3-triisocyanatosilylpropan-1-amine?
3-triisocyanatosilylpropan-1-amine has a molecular weight of 212.24 g/mol, XLogP of -0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triisocyanatosilylpropan-1-amine is sourced from PubChem (CID 18954123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).