tetrapropylazanium;bromide;hydrobromide

C12H29Br2N — CID 87689277

IUPACtetrapropylazanium;bromide;hydrobromide
SMILESBr.CCC[N+](CCC)(CCC)CCC.[Br-]
InChIInChI=1S/C12H28N.2BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;;/h5-12H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyHEGFXARXZIIEST-UHFFFAOYSA-M
MW347.18 g/mol
LogP1.03
Rot. Bonds8

About tetrapropylazanium;bromide;hydrobromide

tetrapropylazanium;bromide;hydrobromide (PubChem CID 87689277) has the molecular formula C12H29Br2N and a molecular weight of 347.18 g/mol. Its IUPAC name is tetrapropylazanium;bromide;hydrobromide.

Molecular Properties

Compound Nametetrapropylazanium;bromide;hydrobromide
PubChem CID87689277
Molecular FormulaC12H29Br2N
Molecular Weight347.18 g/mol
Exact Mass345.07
IUPAC Nametetrapropylazanium;bromide;hydrobromide
SMILESBr.CCC[N+](CCC)(CCC)CCC.[Br-]
InChIInChI=1S/C12H28N.2BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;;/h5-12H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyHEGFXARXZIIEST-UHFFFAOYSA-M
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

antimony(3+);tetrapropylazanium
CID 18954503
manganese;oxygen(2-);tetrapropylazanium
CID 159090995
tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)
CID 173136039
boric acid;tetrapropylazanium;bromide
CID 175148155
tripropyl-[4-(tripropylazaniumyl)butyl]azanium
CID 86186380
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113
tripropyl(tetracosyl)azanium bromide
CID 153322910
tetrapropylazanium periodate
CID 3020483
3-bromopropyl(tripropyl)azanium bromide
CID 86627325
propyl-tri(tetradecyl)azanium
CID 22408967
propyl-tri(undecyl)azanium
CID 54352857
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461

Frequently Asked Questions

What is the IUPAC name of tetrapropylazanium;bromide;hydrobromide?
The IUPAC name of tetrapropylazanium;bromide;hydrobromide (CID 87689277) is tetrapropylazanium;bromide;hydrobromide.
What is the SMILES notation for tetrapropylazanium;bromide;hydrobromide?
The canonical SMILES for tetrapropylazanium;bromide;hydrobromide is Br.CCC[N+](CCC)(CCC)CCC.[Br-].
What is the InChIKey of tetrapropylazanium;bromide;hydrobromide?
The InChIKey is HEGFXARXZIIEST-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28N.2BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;;/h5-12H2,1-4H3;2*1H/q+1;;/p-1.
What are the key properties of tetrapropylazanium;bromide;hydrobromide?
tetrapropylazanium;bromide;hydrobromide has a molecular weight of 347.18 g/mol, XLogP of 1.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapropylazanium;bromide;hydrobromide is sourced from PubChem (CID 87689277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).