ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium

C12H24NO+ — CID 87840281

IUPACethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium
SMILESC=C=[N+](CCO)CC(CC)CCCC
InChIInChI=1S/C12H24NO/c1-4-7-8-12(5-2)11-13(6-3)9-10-14/h12,14H,3-5,7-11H2,1-2H3/q+1
InChIKeyHGEDMSUUVZJXHX-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.06
Rot. Bonds8

About ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium

ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium (PubChem CID 87840281) has the molecular formula C12H24NO+ and a molecular weight of 198.33 g/mol. Its IUPAC name is ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Nameethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium
PubChem CID87840281
Molecular FormulaC12H24NO+
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Nameethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium
SMILESC=C=[N+](CCO)CC(CC)CCCC
InChIInChI=1S/C12H24NO/c1-4-7-8-12(5-2)11-13(6-3)9-10-14/h12,14H,3-5,7-11H2,1-2H3/q+1
InChIKeyHGEDMSUUVZJXHX-UHFFFAOYSA-N
XLogP2.06
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(diethylamino)methylidene-bis(2-ethylhexyl)azanium
CID 118374716
2-ethylhexan-1-ol;iron
CID 22477032
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;hydron
CID 175010288
ethane-1,2-diol;2-ethylhexan-1-ol;prop-1-ene
CID 139528593
CID 159249113
CID 159249113
2-ethylhexan-1-ol;zirconium;trihydrochloride
CID 173397810
4-ethyldecan-1-ol
CID 91002231
4-ethyltridecan-1-ol
CID 20550506
azane;3-ethylhenicosan-1-ol
CID 174815540
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
(3R)-3-(isothiocyanatomethyl)heptane
CID 7131100

Frequently Asked Questions

What is the IUPAC name of ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium?
The IUPAC name of ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium (CID 87840281) is ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium.
What is the SMILES notation for ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium?
The canonical SMILES for ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium is C=C=[N+](CCO)CC(CC)CCCC.
What is the InChIKey of ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium?
The InChIKey is HGEDMSUUVZJXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO/c1-4-7-8-12(5-2)11-13(6-3)9-10-14/h12,14H,3-5,7-11H2,1-2H3/q+1.
What are the key properties of ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium?
ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium has a molecular weight of 198.33 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylidene-(2-ethylhexyl)-(2-hydroxyethyl)azanium is sourced from PubChem (CID 87840281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).