benzyl-dimethyl-propylazanium;boranuide

C12H24BN — CID 173258032

IUPACbenzyl-dimethyl-propylazanium;boranuide
SMILESCCC[N+](C)(C)Cc1ccccc1.[BH4-]
InChIInChI=1S/C12H20N.BH4/c1-4-10-13(2,3)11-12-8-6-5-7-9-12;/h5-9H,4,10-11H2,1-3H3;1H4/q+1;-1
InChIKeyFJECPFPWDLBMEH-UHFFFAOYSA-N
MW193.14 g/mol
LogP1.22
Rot. Bonds4

About benzyl-dimethyl-propylazanium;boranuide

benzyl-dimethyl-propylazanium;boranuide (PubChem CID 173258032) has the molecular formula C12H24BN and a molecular weight of 193.14 g/mol. Its IUPAC name is benzyl-dimethyl-propylazanium;boranuide.

Molecular Properties

Compound Namebenzyl-dimethyl-propylazanium;boranuide
PubChem CID173258032
Molecular FormulaC12H24BN
Molecular Weight193.14 g/mol
Exact Mass193.20
IUPAC Namebenzyl-dimethyl-propylazanium;boranuide
SMILESCCC[N+](C)(C)Cc1ccccc1.[BH4-]
InChIInChI=1S/C12H20N.BH4/c1-4-10-13(2,3)11-12-8-6-5-7-9-12;/h5-9H,4,10-11H2,1-3H3;1H4/q+1;-1
InChIKeyFJECPFPWDLBMEH-UHFFFAOYSA-N
XLogP1.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[2-[benzyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;dibromide;dihydrate
CID 139074114
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741
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

Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-propylazanium;boranuide?
The IUPAC name of benzyl-dimethyl-propylazanium;boranuide (CID 173258032) is benzyl-dimethyl-propylazanium;boranuide.
What is the SMILES notation for benzyl-dimethyl-propylazanium;boranuide?
The canonical SMILES for benzyl-dimethyl-propylazanium;boranuide is CCC[N+](C)(C)Cc1ccccc1.[BH4-].
What is the InChIKey of benzyl-dimethyl-propylazanium;boranuide?
The InChIKey is FJECPFPWDLBMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.BH4/c1-4-10-13(2,3)11-12-8-6-5-7-9-12;/h5-9H,4,10-11H2,1-3H3;1H4/q+1;-1.
What are the key properties of benzyl-dimethyl-propylazanium;boranuide?
benzyl-dimethyl-propylazanium;boranuide has a molecular weight of 193.14 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-propylazanium;boranuide is sourced from PubChem (CID 173258032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).