benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium

C19H37N2Si+ — CID 158505511

IUPACbenzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium
SMILESC[N+](C)(CCCCCCCNCCC[SiH3])Cc1ccccc1
InChIInChI=1S/C19H37N2Si/c1-21(2,18-19-12-7-6-8-13-19)16-10-5-3-4-9-14-20-15-11-17-22/h6-8,12-13,20H,3-5,9-11,14-18H2,1-2,22H3/q+1
InChIKeyUOXDTBQWSDFNFZ-UHFFFAOYSA-N
MW321.61 g/mol
LogP2.98
Rot. Bonds13

About benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium

benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium (PubChem CID 158505511) has the molecular formula C19H37N2Si+ and a molecular weight of 321.61 g/mol. Its IUPAC name is benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium.

Molecular Properties

Compound Namebenzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium
PubChem CID158505511
Molecular FormulaC19H37N2Si+
Molecular Weight321.61 g/mol
Exact Mass321.27
IUPAC Namebenzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium
SMILESC[N+](C)(CCCCCCCNCCC[SiH3])Cc1ccccc1
InChIInChI=1S/C19H37N2Si/c1-21(2,18-19-12-7-6-8-13-19)16-10-5-3-4-9-14-20-15-11-17-22/h6-8,12-13,20H,3-5,9-11,14-18H2,1-2,22H3/q+1
InChIKeyUOXDTBQWSDFNFZ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium?
The IUPAC name of benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium (CID 158505511) is benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium.
What is the SMILES notation for benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium?
The canonical SMILES for benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium is C[N+](C)(CCCCCCCNCCC[SiH3])Cc1ccccc1.
What is the InChIKey of benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium?
The InChIKey is UOXDTBQWSDFNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N2Si/c1-21(2,18-19-12-7-6-8-13-19)16-10-5-3-4-9-14-20-15-11-17-22/h6-8,12-13,20H,3-5,9-11,14-18H2,1-2,22H3/q+1.
What are the key properties of benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium?
benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium has a molecular weight of 321.61 g/mol, XLogP of 2.98, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-[7-(3-silylpropylamino)heptyl]azanium is sourced from PubChem (CID 158505511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).