benzyl-heptyl-dimethylazanium chloride

C16H28ClN — CID 23274918

IUPACbenzyl-heptyl-dimethylazanium chloride
SMILESCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C16H28N.ClH/c1-4-5-6-7-11-14-17(2,3)15-16-12-9-8-10-13-16;/h8-10,12-13H,4-7,11,14-15H2,1-3H3;1H/q+1;/p-1
InChIKeyKRZFUFAXYXRFIX-UHFFFAOYSA-M
MW269.86 g/mol
LogP1.24
Rot. Bonds8

About benzyl-heptyl-dimethylazanium chloride

benzyl-heptyl-dimethylazanium chloride (PubChem CID 23274918) has the molecular formula C16H28ClN and a molecular weight of 269.86 g/mol. Its IUPAC name is benzyl-heptyl-dimethylazanium chloride.

Molecular Properties

Compound Namebenzyl-heptyl-dimethylazanium chloride
PubChem CID23274918
Molecular FormulaC16H28ClN
Molecular Weight269.86 g/mol
Exact Mass269.19
IUPAC Namebenzyl-heptyl-dimethylazanium chloride
SMILESCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C16H28N.ClH/c1-4-5-6-7-11-14-17(2,3)15-16-12-9-8-10-13-16;/h8-10,12-13H,4-7,11,14-15H2,1-3H3;1H/q+1;/p-1
InChIKeyKRZFUFAXYXRFIX-UHFFFAOYSA-M
XLogP1.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.86
LogP ≤ 51.24
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

bis(benzyl-dimethyl-tetradecylazanium);dichloride;dihydrate
CID 159396332
bis(benzyl-dimethyl-tetradecylazanium);dichloride;hydrate
CID 158851998
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741
tris(benzyl-dodecyl-dimethylazanium);tribromide
CID 155665719
benzyl-dodecyl-dimethylazanium bromide
CID 23705
benzyl-dimethyl-octylazanium;benzyl-dodecyl-dimethylazanium;difluoride
CID 162146991
benzyl-hexadecyl-dimethylazanium;hydrobromide
CID 174689063
benzyl-dodecyl-dimethylazanium;ethanol;chloride
CID 87709845
benzyl-dimethyl-octylazanium;dodecyl(trimethyl)azanium;dichloride
CID 176814227
azane;benzyl-dimethyl-octadecylazanium;hydrochloride
CID 174832079
lithium;benzyl-dimethyl-octadecylazanium;hydride
CID 174582976

Frequently Asked Questions

What is the IUPAC name of benzyl-heptyl-dimethylazanium chloride?
The IUPAC name of benzyl-heptyl-dimethylazanium chloride (CID 23274918) is benzyl-heptyl-dimethylazanium chloride.
What is the SMILES notation for benzyl-heptyl-dimethylazanium chloride?
The canonical SMILES for benzyl-heptyl-dimethylazanium chloride is CCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl-heptyl-dimethylazanium chloride?
The InChIKey is KRZFUFAXYXRFIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H28N.ClH/c1-4-5-6-7-11-14-17(2,3)15-16-12-9-8-10-13-16;/h8-10,12-13H,4-7,11,14-15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl-heptyl-dimethylazanium chloride?
benzyl-heptyl-dimethylazanium chloride has a molecular weight of 269.86 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-heptyl-dimethylazanium chloride is sourced from PubChem (CID 23274918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).