1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane

C17H33N2+ — CID 59129904

IUPAC1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane
SMILESC=CCCCCCCCCC[N+]12CCN(CC1)CC2
InChIInChI=1S/C17H33N2/c1-2-3-4-5-6-7-8-9-10-14-19-15-11-18(12-16-19)13-17-19/h2H,1,3-17H2/q+1
InChIKeyZIZJOHNTKFHNJF-UHFFFAOYSA-N
MW265.46 g/mol
LogP3.44
Rot. Bonds10

About 1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane

1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane (PubChem CID 59129904) has the molecular formula C17H33N2+ and a molecular weight of 265.46 g/mol. Its IUPAC name is 1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane
PubChem CID59129904
Molecular FormulaC17H33N2+
Molecular Weight265.46 g/mol
Exact Mass265.26
IUPAC Name1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane
SMILESC=CCCCCCCCCC[N+]12CCN(CC1)CC2
InChIInChI=1S/C17H33N2/c1-2-3-4-5-6-7-8-9-10-14-19-15-11-18(12-16-19)13-17-19/h2H,1,3-17H2/q+1
InChIKeyZIZJOHNTKFHNJF-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-Methyl-4-undec-10-enyl-piperazine
CID 21399233
1-Methyl-4-undec-10-enyl-1,4-diazoniabicyclo[2.2.2]octane
CID 59129892
1-Undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide
CID 68538173
N'-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-trioctadecylethane-1,2-diamine
CID 159762910
N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine;N'-[2-[4-[2-[di(tetradecyl)amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tri(tetradecyl)ethane-1,2-diamine
CID 160731211
(9Z,12Z)-N-[2-[4-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadeca-9,12-dien-1-amine;(Z)-N-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N-methyloctadec-9-en-1-amine;N-[2-[4-[2-(dioctadecylamino)ethyl]piperazin-1-yl]ethyl]-N-methyloctadecan-1-amine;(9Z,12Z)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine;(Z)-N-[(Z)-octadec-9-enyl]-N-propyloctadec-9-en-1-amine;N-octadecyl-N-propyloctadecan-1-amine
CID 160736530
1-[(4Z)-cyclooct-4-en-1-yl]-4-aza-1-azoniabicyclo[2.2.2]octane
CID 164595333

Frequently Asked Questions

What is the IUPAC name of 1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane?
The IUPAC name of 1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane (CID 59129904) is 1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane.
What is the SMILES notation for 1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane?
The canonical SMILES for 1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane is C=CCCCCCCCCC[N+]12CCN(CC1)CC2.
What is the InChIKey of 1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane?
The InChIKey is ZIZJOHNTKFHNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2/c1-2-3-4-5-6-7-8-9-10-14-19-15-11-18(12-16-19)13-17-19/h2H,1,3-17H2/q+1.
What are the key properties of 1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane?
1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane has a molecular weight of 265.46 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undec-10-enyl-4-aza-1-azoniabicyclo[2.2.2]octane is sourced from PubChem (CID 59129904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).