bis(2-methylprop-2-enyl)-dipentylazanium

C18H36N+ — CID 139606749

IUPACbis(2-methylprop-2-enyl)-dipentylazanium
SMILESC=C(C)C[N+](CCCCC)(CCCCC)CC(=C)C
InChIInChI=1S/C18H36N/c1-7-9-11-13-19(15-17(3)4,16-18(5)6)14-12-10-8-2/h3,5,7-16H2,1-2,4,6H3/q+1
InChIKeyRPRDMQXCYAKGGL-UHFFFAOYSA-N
MW266.49 g/mol
LogP5.34
Rot. Bonds12

About bis(2-methylprop-2-enyl)-dipentylazanium

bis(2-methylprop-2-enyl)-dipentylazanium (PubChem CID 139606749) has the molecular formula C18H36N+ and a molecular weight of 266.49 g/mol. Its IUPAC name is bis(2-methylprop-2-enyl)-dipentylazanium.

Molecular Properties

Compound Namebis(2-methylprop-2-enyl)-dipentylazanium
PubChem CID139606749
Molecular FormulaC18H36N+
Molecular Weight266.49 g/mol
Exact Mass266.28
IUPAC Namebis(2-methylprop-2-enyl)-dipentylazanium
SMILESC=C(C)C[N+](CCCCC)(CCCCC)CC(=C)C
InChIInChI=1S/C18H36N/c1-7-9-11-13-19(15-17(3)4,16-18(5)6)14-12-10-8-2/h3,5,7-16H2,1-2,4,6H3/q+1
InChIKeyRPRDMQXCYAKGGL-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.49
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibutyl-(2-methylprop-2-enyl)-nonadecylazanium
CID 22597100
methyl-(2-methylprop-2-enyl)-dioctadecylazanium
CID 87481959
octyl-tri(pentadecyl)azanium
CID 87809127
trihexyl(nonyl)azanium
CID 87777679
tri(heptadecyl)-octylazanium
CID 87809516
pentyl-tri(tridecyl)azanium
CID 87897500
dodecyl(triheptyl)azanium
CID 12049151
decyl-tri(undecyl)azanium
CID 87810629
octadecyl-tri(undecyl)azanium
CID 87811974
hexadecyl(trihexyl)azanium
CID 19021069
heptyl-tri(undecyl)azanium
CID 87808112
tridodecyl(pentadecyl)azanium
CID 87808406

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enyl)-dipentylazanium?
The IUPAC name of bis(2-methylprop-2-enyl)-dipentylazanium (CID 139606749) is bis(2-methylprop-2-enyl)-dipentylazanium.
What is the SMILES notation for bis(2-methylprop-2-enyl)-dipentylazanium?
The canonical SMILES for bis(2-methylprop-2-enyl)-dipentylazanium is C=C(C)C[N+](CCCCC)(CCCCC)CC(=C)C.
What is the InChIKey of bis(2-methylprop-2-enyl)-dipentylazanium?
The InChIKey is RPRDMQXCYAKGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N/c1-7-9-11-13-19(15-17(3)4,16-18(5)6)14-12-10-8-2/h3,5,7-16H2,1-2,4,6H3/q+1.
What are the key properties of bis(2-methylprop-2-enyl)-dipentylazanium?
bis(2-methylprop-2-enyl)-dipentylazanium has a molecular weight of 266.49 g/mol, XLogP of 5.34, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enyl)-dipentylazanium is sourced from PubChem (CID 139606749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).