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

C21H39N3Si — CID 58634527

IUPACdimethyl-[2-methyl-4,6-di(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(1,3,5-triazinan-1-yl)silane
SMILESCC(C)C1=CC2C(CC(C)C2[Si](C)(C)N2CNCNC2)C(C(C)C)=C1
InChIInChI=1S/C21H39N3Si/c1-14(2)17-9-18(15(3)4)19-8-16(5)21(20(19)10-17)25(6,7)24-12-22-11-23-13-24/h9-10,14-16,19-23H,8,11-13H2,1-7H3
InChIKeyLASOQXTUSNFUKJ-UHFFFAOYSA-N
MW361.65 g/mol
LogP4.38
Rot. Bonds4

About 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

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 (PubChem CID 58634527) has the molecular formula C21H39N3Si and a molecular weight of 361.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedimethyl-[2-methyl-4,6-di(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(1,3,5-triazinan-1-yl)silane
PubChem CID58634527
Molecular FormulaC21H39N3Si
Molecular Weight361.65 g/mol
Exact Mass361.29
IUPAC Namedimethyl-[2-methyl-4,6-di(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(1,3,5-triazinan-1-yl)silane
SMILESCC(C)C1=CC2C(CC(C)C2[Si](C)(C)N2CNCNC2)C(C(C)C)=C1
InChIInChI=1S/C21H39N3Si/c1-14(2)17-9-18(15(3)4)19-8-16(5)21(20(19)10-17)25(6,7)24-12-22-11-23-13-24/h9-10,14-16,19-23H,8,11-13H2,1-7H3
InChIKeyLASOQXTUSNFUKJ-UHFFFAOYSA-N
XLogP4.38
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 54.38
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-[2-methyl-4,6-di(propan-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(1,3,5-triazinan-1-yl)silane?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1=CC2C(CC(C)C2[Si](C)(C)N2CNCNC2)C(C(C)C)=C1.
What is the InChIKey of 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?
The InChIKey is LASOQXTUSNFUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3Si/c1-14(2)17-9-18(15(3)4)19-8-16(5)21(20(19)10-17)25(6,7)24-12-22-11-23-13-24/h9-10,14-16,19-23H,8,11-13H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 361.65 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58634527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).