azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide

C11H21BrN2 — CID 175439237

IUPACazane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide
SMILESCC[N+](C)(C)c1ccc(C)cc1.N.[Br-]
InChIInChI=1S/C11H18N.BrH.H3N/c1-5-12(3,4)11-8-6-10(2)7-9-11;;/h6-9H,5H2,1-4H3;1H;1H3/q+1;;/p-1
InChIKeyMBZJXNOERKNFRZ-UHFFFAOYSA-M
MW261.21 g/mol
LogP-0.25
Rot. Bonds2

About azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide

azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide (PubChem CID 175439237) has the molecular formula C11H21BrN2 and a molecular weight of 261.21 g/mol. Its IUPAC name is azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide.

Molecular Properties

Compound Nameazane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide
PubChem CID175439237
Molecular FormulaC11H21BrN2
Molecular Weight261.21 g/mol
Exact Mass260.09
IUPAC Nameazane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide
SMILESCC[N+](C)(C)c1ccc(C)cc1.N.[Br-]
InChIInChI=1S/C11H18N.BrH.H3N/c1-5-12(3,4)11-8-6-10(2)7-9-11;;/h6-9H,5H2,1-4H3;1H;1H3/q+1;;/p-1
InChIKeyMBZJXNOERKNFRZ-UHFFFAOYSA-M
XLogP-0.25
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl-(4-hydroxyphenyl)-dimethylazanium
CID 23621897
hexyl-dimethyl-(4-methylphenyl)azanium chloride
CID 20509090
cobalt;bis(1,4-xylene)
CID 67859603
ethyl-dimethyl-phenylazanium tetrafluoroborate
CID 139243462
diethyl-icosyl-(4-methylphenyl)azanium chloride
CID 20509239
N,4-dimethyl-N-propylbenzeneamine oxide
CID 134995998
(4-methylphenyl)-tripropylazanium hydroxide
CID 176891464
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264
molecular hydrogen;propane;1,4-xylene
CID 170763925
ethanol;methanol;1,4-xylene
CID 70196397
platinum;1,4-xylene
CID 173034643

Frequently Asked Questions

What is the IUPAC name of azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide?
The IUPAC name of azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide (CID 175439237) is azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide.
What is the SMILES notation for azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide?
The canonical SMILES for azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide is CC[N+](C)(C)c1ccc(C)cc1.N.[Br-].
What is the InChIKey of azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide?
The InChIKey is MBZJXNOERKNFRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18N.BrH.H3N/c1-5-12(3,4)11-8-6-10(2)7-9-11;;/h6-9H,5H2,1-4H3;1H;1H3/q+1;;/p-1.
What are the key properties of azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide?
azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide has a molecular weight of 261.21 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide is sourced from PubChem (CID 175439237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).