2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium

C16H33N2O2+ — CID 101277799

IUPAC2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCC/C=C/CCCC(=O)N(CC)CC[N+](C)(C)CCO
InChIInChI=1S/C16H33N2O2/c1-5-7-8-9-10-11-16(20)17(6-2)12-13-18(3,4)14-15-19/h7-8,19H,5-6,9-15H2,1-4H3/q+1/b8-7+
InChIKeyOGPCXDHADONPPV-BQYQJAHWSA-N
MW285.45 g/mol
LogP2.04
Rot. Bonds11

About 2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium

2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 101277799) has the molecular formula C16H33N2O2+ and a molecular weight of 285.45 g/mol. Its IUPAC name is 2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID101277799
Molecular FormulaC16H33N2O2+
Molecular Weight285.45 g/mol
Exact Mass285.25
IUPAC Name2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCC/C=C/CCCC(=O)N(CC)CC[N+](C)(C)CCO
InChIInChI=1S/C16H33N2O2/c1-5-7-8-9-10-11-16(20)17(6-2)12-13-18(3,4)14-15-19/h7-8,19H,5-6,9-15H2,1-4H3/q+1/b8-7+
InChIKeyOGPCXDHADONPPV-BQYQJAHWSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.04
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-[[(E)-dec-6-enoyl]-ethylamino]ethyl-diethyl-(2-hydroxyethyl)azanium
CID 101277865
2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 101277785
(9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide
CID 122698321
2-[[(E)-hept-3-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 101277766
2-hydroxyethyl-dimethyl-[2-[methyl(oct-7-enoyl)amino]ethyl]azanium
CID 101277775
2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium
CID 101277776
N,N-dimethylnon-6-enamide
CID 76781952
dimethyl-[3-[[(9Z,12Z)-octadeca-9,12-dienoyl]-[(9Z,12Z)-octadeca-9,12-dienyl]amino]propyl]-[(9Z,12Z)-octadeca-9,12-dienyl]azanium chloride
CID 134205263
2-hydroxyethyl-dimethyl-[(Z)-17-oxotetratriacont-25-enyl]azanium chloride
CID 141408823
(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
CID 172720663
(Z)-non-6-en-2-one
CID 11105450
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of 2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium (CID 101277799) is 2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for 2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for 2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium is CC/C=C/CCCC(=O)N(CC)CC[N+](C)(C)CCO.
What is the InChIKey of 2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is OGPCXDHADONPPV-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H33N2O2/c1-5-7-8-9-10-11-16(20)17(6-2)12-13-18(3,4)14-15-19/h7-8,19H,5-6,9-15H2,1-4H3/q+1/b8-7+.
What are the key properties of 2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium?
2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 285.45 g/mol, XLogP of 2.04, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 101277799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).