benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium

C17H33N2Si+ — CID 123692124

IUPACbenzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium
SMILESC[N+](C)(CCCCCNCCC[SiH3])Cc1ccccc1
InChIInChI=1S/C17H33N2Si/c1-19(2,16-17-10-5-3-6-11-17)14-8-4-7-12-18-13-9-15-20/h3,5-6,10-11,18H,4,7-9,12-16H2,1-2,20H3/q+1
InChIKeyIDEYQTGXJXDVCB-UHFFFAOYSA-N
MW293.55 g/mol
LogP2.20
Rot. Bonds11

About benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium

benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium (PubChem CID 123692124) has the molecular formula C17H33N2Si+ and a molecular weight of 293.55 g/mol. Its IUPAC name is benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium.

Molecular Properties

Compound Namebenzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium
PubChem CID123692124
Molecular FormulaC17H33N2Si+
Molecular Weight293.55 g/mol
Exact Mass293.24
IUPAC Namebenzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium
SMILESC[N+](C)(CCCCCNCCC[SiH3])Cc1ccccc1
InChIInChI=1S/C17H33N2Si/c1-19(2,16-17-10-5-3-6-11-17)14-8-4-7-12-18-13-9-15-20/h3,5-6,10-11,18H,4,7-9,12-16H2,1-2,20H3/q+1
InChIKeyIDEYQTGXJXDVCB-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 52.20
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-[5-(3-silylpropylamino)pentyl]azanium?
The IUPAC name of benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium (CID 123692124) is benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium.
What is the SMILES notation for benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium?
The canonical SMILES for benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium is C[N+](C)(CCCCCNCCC[SiH3])Cc1ccccc1.
What is the InChIKey of benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium?
The InChIKey is IDEYQTGXJXDVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2Si/c1-19(2,16-17-10-5-3-6-11-17)14-8-4-7-12-18-13-9-15-20/h3,5-6,10-11,18H,4,7-9,12-16H2,1-2,20H3/q+1.
What are the key properties of benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium?
benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium has a molecular weight of 293.55 g/mol, XLogP of 2.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-[5-(3-silylpropylamino)pentyl]azanium is sourced from PubChem (CID 123692124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).