dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane

C23H43N3Si — CID 76844178

IUPACdimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
SMILESCC(C)C1=CC2C(C(C(C)C)=C1)C(C(C)C)CC2[Si](C)(C)N1CNCNC1
InChIInChI=1S/C23H43N3Si/c1-15(2)18-9-19(16(3)4)23-20(17(5)6)11-22(21(23)10-18)27(7,8)26-13-24-12-25-14-26/h9-10,15-17,20-25H,11-14H2,1-8H3
InChIKeyWKJXRYDKJQHPSA-UHFFFAOYSA-N
MW389.70 g/mol
LogP5.02
Rot. Bonds5

About dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane

dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane (PubChem CID 76844178) has the molecular formula C23H43N3Si and a molecular weight of 389.70 g/mol. Its IUPAC name is dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane.

Molecular Properties

Compound Namedimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
PubChem CID76844178
Molecular FormulaC23H43N3Si
Molecular Weight389.70 g/mol
Exact Mass389.32
IUPAC Namedimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
SMILESCC(C)C1=CC2C(C(C(C)C)=C1)C(C(C)C)CC2[Si](C)(C)N1CNCNC1
InChIInChI=1S/C23H43N3Si/c1-15(2)18-9-19(16(3)4)23-20(17(5)6)11-22(21(23)10-18)27(7,8)26-13-24-12-25-14-26/h9-10,15-17,20-25H,11-14H2,1-8H3
InChIKeyWKJXRYDKJQHPSA-UHFFFAOYSA-N
XLogP5.02
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.70
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane?
The IUPAC name of dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane (CID 76844178) is dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane.
What is the SMILES notation for dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane?
The canonical SMILES for dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane is CC(C)C1=CC2C(C(C(C)C)=C1)C(C(C)C)CC2[Si](C)(C)N1CNCNC1.
What is the InChIKey of dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane?
The InChIKey is WKJXRYDKJQHPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3Si/c1-15(2)18-9-19(16(3)4)23-20(17(5)6)11-22(21(23)10-18)27(7,8)26-13-24-12-25-14-26/h9-10,15-17,20-25H,11-14H2,1-8H3.
What are the key properties of dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane?
dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane has a molecular weight of 389.70 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1,3,5-triazinan-1-yl)-[3,4,6-tri(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane is sourced from PubChem (CID 76844178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).