2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium

C20H41N2O2+ — CID 101277865

IUPAC2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium
SMILESCCC/C=C/CCCCC(=O)N(CC)CC[N+](CC)(CC)CCO
InChIInChI=1S/C20H41N2O2/c1-5-9-10-11-12-13-14-15-20(24)21(6-2)16-17-22(7-3,8-4)18-19-23/h10-11,23H,5-9,12-19H2,1-4H3/q+1/b11-10+
InChIKeyRRONQDFWWMAJSW-ZHACJKMWSA-N
MW341.56 g/mol
LogP3.60
Rot. Bonds15

About 2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium

2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium (PubChem CID 101277865) has the molecular formula C20H41N2O2+ and a molecular weight of 341.56 g/mol. Its IUPAC name is 2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium
PubChem CID101277865
Molecular FormulaC20H41N2O2+
Molecular Weight341.56 g/mol
Exact Mass341.32
IUPAC Name2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium
SMILESCCC/C=C/CCCCC(=O)N(CC)CC[N+](CC)(CC)CCO
InChIInChI=1S/C20H41N2O2/c1-5-9-10-11-12-13-14-15-20(24)21(6-2)16-17-22(7-3,8-4)18-19-23/h10-11,23H,5-9,12-19H2,1-4H3/q+1/b11-10+
InChIKeyRRONQDFWWMAJSW-ZHACJKMWSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 101277799
diethyl-[2-[hept-6-enoyl(methyl)amino]ethyl]-(2-hydroxyethyl)azanium
CID 101277821
(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
CID 172720663
2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium
CID 101277835
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
(9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide
CID 122698321
N-[3-[bis(3-hydroxypropyl)amino]propyl]-N-(3-hydroxypropyl)octadec-9-enamide
CID 173431386
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
2-carboxyethyl-bis(2-hydroxyethyl)-[2-[(E)-oct-4-enoxy]ethyl]azanium
CID 101283358
N,N-diethyl-10-oxodecanamide
CID 130369072
(Z)-N-(2-hydroxyethyl)-N-[2-(methylamino)propyl]octadec-9-enamide
CID 88834006

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium?
The IUPAC name of 2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium (CID 101277865) is 2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for 2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium?
The canonical SMILES for 2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium is CCC/C=C/CCCCC(=O)N(CC)CC[N+](CC)(CC)CCO.
What is the InChIKey of 2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium?
The InChIKey is RRONQDFWWMAJSW-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H41N2O2/c1-5-9-10-11-12-13-14-15-20(24)21(6-2)16-17-22(7-3,8-4)18-19-23/h10-11,23H,5-9,12-19H2,1-4H3/q+1/b11-10+.
What are the key properties of 2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium?
2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium has a molecular weight of 341.56 g/mol, XLogP of 3.60, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 101277865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).