benzyl-dimethyl-octylazanium

C17H30N+ — CID 13741

IUPACbenzyl-dimethyl-octylazanium
SMILESCCCCCCCC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C17H30N/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3/q+1
InChIKeySHFLYPPECXRCFO-UHFFFAOYSA-N
MW248.43 g/mol
LogP4.62
Rot. Bonds9

About benzyl-dimethyl-octylazanium

benzyl-dimethyl-octylazanium (PubChem CID 13741) has the molecular formula C17H30N+ and a molecular weight of 248.43 g/mol. Its IUPAC name is benzyl-dimethyl-octylazanium.

Molecular Properties

Compound Namebenzyl-dimethyl-octylazanium
PubChem CID13741
Molecular FormulaC17H30N+
Molecular Weight248.43 g/mol
Exact Mass248.24
IUPAC Namebenzyl-dimethyl-octylazanium
SMILESCCCCCCCC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C17H30N/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3/q+1
InChIKeySHFLYPPECXRCFO-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
tris(benzyl-dodecyl-dimethylazanium);tribromide
CID 155665719
benzyl-heptyl-dimethylazanium chloride
CID 23274918
benzyl-dodecyl-dimethylazanium bromide
CID 23705
benzyl-hexadecyl-dimethylazanium;hydrobromide
CID 174689063
benzyl-dimethyl-octylazanium;benzyl-dodecyl-dimethylazanium;difluoride
CID 162146991
azane;benzyl-dimethyl-octadecylazanium;hydrochloride
CID 174832079
lithium;benzyl-dimethyl-octadecylazanium;hydride
CID 174582976
bis(benzyl-dimethyl-tetradecylazanium);dichloride;dihydrate
CID 159396332
bis(benzyl-dimethyl-tetradecylazanium);dichloride;hydrate
CID 158851998
CID 175396527
CID 175396527
benzyl-dodecyl-dimethylazanium;fluoroform
CID 174938742

Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-octylazanium?
The IUPAC name of benzyl-dimethyl-octylazanium (CID 13741) is benzyl-dimethyl-octylazanium.
What is the SMILES notation for benzyl-dimethyl-octylazanium?
The canonical SMILES for benzyl-dimethyl-octylazanium is CCCCCCCC[N+](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl-dimethyl-octylazanium?
The InChIKey is SHFLYPPECXRCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3/q+1.
What are the key properties of benzyl-dimethyl-octylazanium?
benzyl-dimethyl-octylazanium has a molecular weight of 248.43 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-octylazanium is sourced from PubChem (CID 13741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).