2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide

C15H30BrN — CID 86714716

IUPAC2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide
SMILESC=CCC(C=[N+](CC(C)C)CC(C)C)CC.[Br-]
InChIInChI=1S/C15H30N.BrH/c1-7-9-15(8-2)12-16(10-13(3)4)11-14(5)6;/h7,12-15H,1,8-11H2,2-6H3;1H/q+1;/p-1
InChIKeyVXIWCCNFMVKMTK-UHFFFAOYSA-M
MW304.32 g/mol
LogP0.99
Rot. Bonds8

About 2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide

2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide (PubChem CID 86714716) has the molecular formula C15H30BrN and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide.

Molecular Properties

Compound Name2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide
PubChem CID86714716
Molecular FormulaC15H30BrN
Molecular Weight304.32 g/mol
Exact Mass303.16
IUPAC Name2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide
SMILESC=CCC(C=[N+](CC(C)C)CC(C)C)CC.[Br-]
InChIInChI=1S/C15H30N.BrH/c1-7-9-15(8-2)12-16(10-13(3)4)11-14(5)6;/h7,12-15H,1,8-11H2,2-6H3;1H/q+1;/p-1
InChIKeyVXIWCCNFMVKMTK-UHFFFAOYSA-M
XLogP0.99
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-7-methylnona-1,5-diene
CID 123181426
5-ethenyl-3-ethylocta-1,7-diene
CID 150052452
sodium;hydride;4-methylhex-1-ene
CID 173048656
2-ethyl-N-methylpent-4-en-1-imine
CID 123486283
but-1-ene;4-methylpent-1-ene
CID 23001909
but-1-ene;2-methylbutane
CID 142013560
4-methyldodeca-1,6,8,10-tetraene
CID 123717396
ethanol;4-methylpent-1-ene
CID 141289447
but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
4-ethyldeca-1,5-diene
CID 175490783
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
CID 158518430

Frequently Asked Questions

What is the IUPAC name of 2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide?
The IUPAC name of 2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide (CID 86714716) is 2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide.
What is the SMILES notation for 2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide?
The canonical SMILES for 2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide is C=CCC(C=[N+](CC(C)C)CC(C)C)CC.[Br-].
What is the InChIKey of 2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide?
The InChIKey is VXIWCCNFMVKMTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H30N.BrH/c1-7-9-15(8-2)12-16(10-13(3)4)11-14(5)6;/h7,12-15H,1,8-11H2,2-6H3;1H/q+1;/p-1.
What are the key properties of 2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide?
2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide has a molecular weight of 304.32 g/mol, XLogP of 0.99, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide is sourced from PubChem (CID 86714716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).