dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane

C20H29N3Si — CID 76843825

IUPACdimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane
SMILESC[Si](C)(C1CC(c2ccccc2)C2C=CC=CC21)N1CNCNC1
InChIInChI=1S/C20H29N3Si/c1-24(2,23-14-21-13-22-15-23)20-12-19(16-8-4-3-5-9-16)17-10-6-7-11-18(17)20/h3-11,17-22H,12-15H2,1-2H3
InChIKeyKZXPUHLJFVDUCJ-UHFFFAOYSA-N
MW339.56 g/mol
LogP3.47
Rot. Bonds3

About dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane

dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane (PubChem CID 76843825) has the molecular formula C20H29N3Si and a molecular weight of 339.56 g/mol. Its IUPAC name is dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane.

Molecular Properties

Compound Namedimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane
PubChem CID76843825
Molecular FormulaC20H29N3Si
Molecular Weight339.56 g/mol
Exact Mass339.21
IUPAC Namedimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane
SMILESC[Si](C)(C1CC(c2ccccc2)C2C=CC=CC21)N1CNCNC1
InChIInChI=1S/C20H29N3Si/c1-24(2,23-14-21-13-22-15-23)20-12-19(16-8-4-3-5-9-16)17-10-6-7-11-18(17)20/h3-11,17-22H,12-15H2,1-2H3
InChIKeyKZXPUHLJFVDUCJ-UHFFFAOYSA-N
XLogP3.47
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 76843788
carbanide;dichlorotitanium;dimethyl-[(3S)-3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane
CID 58634315
[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane
CID 58634910
carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298306
dimethyl-(2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634122
1-aza-3,5-diazanidacyclohex-1-yl-[(3S)-3-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorotitanium(4+)
CID 58634677
trimethyl-[methyl-[(1S,2R)-2-phenylcyclopropyl]-trimethylsilyloxysilyl]oxysilane
CID 102422598
1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095473
dimethyl-[2-methyl-4,6-di(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(1,3,5-triazinan-1-yl)silane
CID 58634527
2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095760
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(3R,4R)-4-methyl-3-phenylpiperidine
CID 129371451

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane?
The IUPAC name of dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane (CID 76843825) is dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane.
What is the SMILES notation for dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane?
The canonical SMILES for dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane is C[Si](C)(C1CC(c2ccccc2)C2C=CC=CC21)N1CNCNC1.
What is the InChIKey of dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane?
The InChIKey is KZXPUHLJFVDUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3Si/c1-24(2,23-14-21-13-22-15-23)20-12-19(16-8-4-3-5-9-16)17-10-6-7-11-18(17)20/h3-11,17-22H,12-15H2,1-2H3.
What are the key properties of dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane?
dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane has a molecular weight of 339.56 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane is sourced from PubChem (CID 76843825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).