[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane

C20H35N3Si — CID 58634910

IUPAC[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane
SMILESC[Si](C)(C1C[C@H](C2CCCCC2)C2C=CC=CC21)N1CNCNC1
InChIInChI=1S/C20H35N3Si/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/h6-7,10-11,16-22H,3-5,8-9,12-15H2,1-2H3/t17?,18?,19-,20?/m1/s1
InChIKeyVPGJJGXQZLZGGB-WMGUDHAHSA-N
MW345.61 g/mol
LogP3.89
Rot. Bonds3

About [(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane

[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane (PubChem CID 58634910) has the molecular formula C20H35N3Si and a molecular weight of 345.61 g/mol. Its IUPAC name is [(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane.

Molecular Properties

Compound Name[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane
PubChem CID58634910
Molecular FormulaC20H35N3Si
Molecular Weight345.61 g/mol
Exact Mass345.26
IUPAC Name[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane
SMILESC[Si](C)(C1C[C@H](C2CCCCC2)C2C=CC=CC21)N1CNCNC1
InChIInChI=1S/C20H35N3Si/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/h6-7,10-11,16-22H,3-5,8-9,12-15H2,1-2H3/t17?,18?,19-,20?/m1/s1
InChIKeyVPGJJGXQZLZGGB-WMGUDHAHSA-N
XLogP3.89
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 53.89
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 [(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane?
The IUPAC name of [(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane (CID 58634910) is [(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane.
What is the SMILES notation for [(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane?
The canonical SMILES for [(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane is C[Si](C)(C1C[C@H](C2CCCCC2)C2C=CC=CC21)N1CNCNC1.
What is the InChIKey of [(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane?
The InChIKey is VPGJJGXQZLZGGB-WMGUDHAHSA-N. The full InChI is InChI=1S/C20H35N3Si/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/h6-7,10-11,16-22H,3-5,8-9,12-15H2,1-2H3/t17?,18?,19-,20?/m1/s1.
What are the key properties of [(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane?
[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane has a molecular weight of 345.61 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane is sourced from PubChem (CID 58634910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).