hexyl-dimethyl-prop-2-enylazanium

C11H24N+ — CID 123825197

IUPAChexyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCCCCC
InChIInChI=1S/C11H24N/c1-5-7-8-9-11-12(3,4)10-6-2/h6H,2,5,7-11H2,1,3-4H3/q+1
InChIKeyVYNQTBSKPQEUMJ-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.83
Rot. Bonds7

About hexyl-dimethyl-prop-2-enylazanium

hexyl-dimethyl-prop-2-enylazanium (PubChem CID 123825197) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is hexyl-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Namehexyl-dimethyl-prop-2-enylazanium
PubChem CID123825197
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Namehexyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCCCCC
InChIInChI=1S/C11H24N/c1-5-7-8-9-11-12(3,4)10-6-2/h6H,2,5,7-11H2,1,3-4H3/q+1
InChIKeyVYNQTBSKPQEUMJ-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.83
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

azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 174658869
butyl-dimethyl-prop-2-enylazanium iodide
CID 171383086
bis[2-[dimethyl(tetradecyl)azaniumyl]ethyl]-methyl-prop-2-enylazanium
CID 118721052
hexadecyl-methyl-bis(prop-2-enyl)azanium
CID 639901
dodecyl-hex-5-enyl-dimethylazanium
CID 14625828
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hexadecyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 175005609
bis(prop-2-enyl)-di(undecyl)azanium
CID 101038500
dioctyl-bis(prop-2-enyl)azanium bromide
CID 19847234
di(nonadecyl)-bis(prop-2-enyl)azanium chloride
CID 168918662
hexadecyl-dimethyl-(2-oxoethyl)azanium
CID 100926367
dibutyl-octadecyl-prop-2-enylazanium
CID 87194444
dodecyl-dimethyl-undecylazanium
CID 21491028

Frequently Asked Questions

What is the IUPAC name of hexyl-dimethyl-prop-2-enylazanium?
The IUPAC name of hexyl-dimethyl-prop-2-enylazanium (CID 123825197) is hexyl-dimethyl-prop-2-enylazanium.
What is the SMILES notation for hexyl-dimethyl-prop-2-enylazanium?
The canonical SMILES for hexyl-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)CCCCCC.
What is the InChIKey of hexyl-dimethyl-prop-2-enylazanium?
The InChIKey is VYNQTBSKPQEUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-5-7-8-9-11-12(3,4)10-6-2/h6H,2,5,7-11H2,1,3-4H3/q+1.
What are the key properties of hexyl-dimethyl-prop-2-enylazanium?
hexyl-dimethyl-prop-2-enylazanium has a molecular weight of 170.32 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 123825197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).