trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide

C11H26Br2N2 — CID 24835970

IUPACtrimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide
SMILESCC(/C=C\C[N+](C)(C)C)[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C11H26N2.2BrH/c1-11(13(5,6)7)9-8-10-12(2,3)4;;/h8-9,11H,10H2,1-7H3;2*1H/q+2;;/p-2/b9-8-;;
InChIKeyKMSPNKRTLURCMB-ULDSSAIZSA-L
MW346.15 g/mol
LogP-4.65
Rot. Bonds4

About trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide

trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide (PubChem CID 24835970) has the molecular formula C11H26Br2N2 and a molecular weight of 346.15 g/mol. Its IUPAC name is trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide.

Molecular Properties

Compound Nametrimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide
PubChem CID24835970
Molecular FormulaC11H26Br2N2
Molecular Weight346.15 g/mol
Exact Mass344.05
IUPAC Nametrimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide
SMILESCC(/C=C\C[N+](C)(C)C)[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C11H26N2.2BrH/c1-11(13(5,6)7)9-8-10-12(2,3)4;;/h8-9,11H,10H2,1-7H3;2*1H/q+2;;/p-2/b9-8-;;
InChIKeyKMSPNKRTLURCMB-ULDSSAIZSA-L
XLogP-4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 5-4.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxyprop-2-enyl(trimethyl)azanium chloride
CID 174591801
trimethyl-[(E)-oct-2-enyl]azanium bromide
CID 19848208
trimethyl-[(E)-octadec-2-enyl]azanium bromide
CID 19848237
azane;trimethyl(prop-2-enyl)azanium;bromide;hydrobromide
CID 174829617
4-(trimethylazaniumyl)but-2-enoate
CID 589
trimethyl(7-methyloct-3-enyl)azanium
CID 123575758
trimethyl(2-oxoethyl)azanium chloride
CID 2735510
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
CID 161494736
trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
[(2R)-2-aminopropyl]-trimethylazanium
CID 89262982
[(E)-dodec-2-enyl]-trimethylazanium chloride
CID 19848238
dimethyl-pent-3-en-2-yl-prop-2-enylazanium chloride
CID 139964456

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide?
The IUPAC name of trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide (CID 24835970) is trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide.
What is the SMILES notation for trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide?
The canonical SMILES for trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide is CC(/C=C\C[N+](C)(C)C)[N+](C)(C)C.[Br-].[Br-].
What is the InChIKey of trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide?
The InChIKey is KMSPNKRTLURCMB-ULDSSAIZSA-L. The full InChI is InChI=1S/C11H26N2.2BrH/c1-11(13(5,6)7)9-8-10-12(2,3)4;;/h8-9,11H,10H2,1-7H3;2*1H/q+2;;/p-2/b9-8-;;.
What are the key properties of trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide?
trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide has a molecular weight of 346.15 g/mol, XLogP of -4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide is sourced from PubChem (CID 24835970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).