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

C19H39N2O2+ — CID 101277835

IUPAC2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium
SMILESCCCCCCC/C=C/C(=O)N(C)CC[N+](CC)(CC)CCO
InChIInChI=1S/C19H39N2O2/c1-5-8-9-10-11-12-13-14-19(23)20(4)15-16-21(6-2,7-3)17-18-22/h13-14,22H,5-12,15-18H2,1-4H3/q+1/b14-13+
InChIKeyDUOOOJWFORYZSF-BUHFOSPRSA-N
MW327.53 g/mol
LogP3.21
Rot. Bonds14

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

2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium (PubChem CID 101277835) has the molecular formula C19H39N2O2+ and a molecular weight of 327.53 g/mol. Its IUPAC name is 2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium
PubChem CID101277835
Molecular FormulaC19H39N2O2+
Molecular Weight327.53 g/mol
Exact Mass327.30
IUPAC Name2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium
SMILESCCCCCCC/C=C/C(=O)N(C)CC[N+](CC)(CC)CCO
InChIInChI=1S/C19H39N2O2/c1-5-8-9-10-11-12-13-14-19(23)20(4)15-16-21(6-2,7-3)17-18-22/h13-14,22H,5-12,15-18H2,1-4H3/q+1/b14-13+
InChIKeyDUOOOJWFORYZSF-BUHFOSPRSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxyethyl-dimethyl-[2-[methyl-[(E)-non-2-enoyl]amino]ethyl]azanium
CID 101277776
3-[hexadec-2-enoyl(methyl)amino]propanoic acid
CID 139936776
diethyl-[2-[hept-6-enoyl(methyl)amino]ethyl]-(2-hydroxyethyl)azanium
CID 101277821
N,N-dimethylpentadec-2-enamide
CID 123899063
sodium 2-[methyl-[(E)-octadec-2-enoyl]amino]ethanesulfonate
CID 101283620
4-[[(E)-docos-2-enoyl]-methylamino]butane-1-sulfonic acid
CID 101284664
potassium 2-[[(E)-dodec-2-enoyl]-methylamino]ethanesulfonate
CID 101283598
sodium 2-[methyl-[(E)-tridec-2-enoyl]amino]ethanesulfonate
CID 101283600
potassium 2-[methyl-[(E)-pentadec-2-enoyl]amino]ethanesulfonate
CID 101283610
potassium 2-[methyl-[(E)-octadec-2-enoyl]amino]ethanesulfonate
CID 101283622
sodium 3-[[(E)-heptadec-2-enoyl]-methylamino]propane-1-sulfonate
CID 101284318
calcium bis(3-[methyl-[(E)-tridec-2-enoyl]amino]propane-1-sulfonate)
CID 101283914

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium?
The IUPAC name of 2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium (CID 101277835) is 2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for 2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium?
The canonical SMILES for 2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium is CCCCCCC/C=C/C(=O)N(C)CC[N+](CC)(CC)CCO.
What is the InChIKey of 2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium?
The InChIKey is DUOOOJWFORYZSF-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H39N2O2/c1-5-8-9-10-11-12-13-14-19(23)20(4)15-16-21(6-2,7-3)17-18-22/h13-14,22H,5-12,15-18H2,1-4H3/q+1/b14-13+.
What are the key properties of 2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium?
2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium has a molecular weight of 327.53 g/mol, XLogP of 3.21, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-dec-2-enoyl]-methylamino]ethyl-diethyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 101277835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).