3-bromopropyl(tripropyl)azanium bromide

C12H27Br2N — CID 86627325

IUPAC3-bromopropyl(tripropyl)azanium bromide
SMILESCCC[N+](CCC)(CCC)CCCBr.[Br-]
InChIInChI=1S/C12H27BrN.BrH/c1-4-9-14(10-5-2,11-6-3)12-7-8-13;/h4-12H2,1-3H3;1H/q+1;/p-1
InChIKeySOCWAJXWYHKEQF-UHFFFAOYSA-M
MW345.16 g/mol
LogP0.82
Rot. Bonds9

About 3-bromopropyl(tripropyl)azanium bromide

3-bromopropyl(tripropyl)azanium bromide (PubChem CID 86627325) has the molecular formula C12H27Br2N and a molecular weight of 345.16 g/mol. Its IUPAC name is 3-bromopropyl(tripropyl)azanium bromide.

Molecular Properties

Compound Name3-bromopropyl(tripropyl)azanium bromide
PubChem CID86627325
Molecular FormulaC12H27Br2N
Molecular Weight345.16 g/mol
Exact Mass343.05
IUPAC Name3-bromopropyl(tripropyl)azanium bromide
SMILESCCC[N+](CCC)(CCC)CCCBr.[Br-]
InChIInChI=1S/C12H27BrN.BrH/c1-4-9-14(10-5-2,11-6-3)12-7-8-13;/h4-12H2,1-3H3;1H/q+1;/p-1
InChIKeySOCWAJXWYHKEQF-UHFFFAOYSA-M
XLogP0.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropyl-dihexyl-pentylazanium bromide
CID 139954535
tripropyl-[4-(tripropylazaniumyl)butyl]azanium
CID 86186380
tripropyl(tetracosyl)azanium bromide
CID 153322910
2-bromoethyl-dihexyl-pentylazanium bromide
CID 139954982
tetrapropylazanium;bromide;hydrobromide
CID 87689277
propyl-tri(tetradecyl)azanium
CID 22408967
dihexyl(dipropyl)azanium
CID 23088856
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461
propyl-tri(undecyl)azanium
CID 54352857
2-bromoethyl(tripentyl)azanium iodide
CID 139955337
3-bromopropyl-dimethyl-tridecylazanium bromide
CID 139953631
antimony(3+);tetrapropylazanium
CID 18954503

Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl(tripropyl)azanium bromide?
The IUPAC name of 3-bromopropyl(tripropyl)azanium bromide (CID 86627325) is 3-bromopropyl(tripropyl)azanium bromide.
What is the SMILES notation for 3-bromopropyl(tripropyl)azanium bromide?
The canonical SMILES for 3-bromopropyl(tripropyl)azanium bromide is CCC[N+](CCC)(CCC)CCCBr.[Br-].
What is the InChIKey of 3-bromopropyl(tripropyl)azanium bromide?
The InChIKey is SOCWAJXWYHKEQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27BrN.BrH/c1-4-9-14(10-5-2,11-6-3)12-7-8-13;/h4-12H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 3-bromopropyl(tripropyl)azanium bromide?
3-bromopropyl(tripropyl)azanium bromide has a molecular weight of 345.16 g/mol, XLogP of 0.82, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl(tripropyl)azanium bromide is sourced from PubChem (CID 86627325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).