2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium

C17H35N2O2+ — CID 101277785

IUPAC2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCCCCC/C=C/CCC(=O)N(C)CC[N+](C)(C)CCO
InChIInChI=1S/C17H35N2O2/c1-5-6-7-8-9-10-11-12-17(21)18(2)13-14-19(3,4)15-16-20/h9-10,20H,5-8,11-16H2,1-4H3/q+1/b10-9+
InChIKeyVAAKGIAGXZLVPN-MDZDMXLPSA-N
MW299.48 g/mol
LogP2.43
Rot. Bonds12

About 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium

2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 101277785) has the molecular formula C17H35N2O2+ and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID101277785
Molecular FormulaC17H35N2O2+
Molecular Weight299.48 g/mol
Exact Mass299.27
IUPAC Name2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCCCCC/C=C/CCC(=O)N(C)CC[N+](C)(C)CCO
InChIInChI=1S/C17H35N2O2/c1-5-6-7-8-9-10-11-12-17(21)18(2)13-14-19(3,4)15-16-20/h9-10,20H,5-8,11-16H2,1-4H3/q+1/b10-9+
InChIKeyVAAKGIAGXZLVPN-MDZDMXLPSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.43
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'}

Analyze 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium 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
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-[(Z)-17-oxotetratriacont-25-enyl]azanium chloride
CID 141408823
(E)-N,N-dimethyldec-4-enamide
CID 13308680
2-[ethyl-[(E)-oct-5-enoyl]amino]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 101277799
3-(docos-13-enoylamino)propyl-(2-hydroxyethyl)-dimethylazanium chloride
CID 172878498
2-hydroxyethyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride
CID 173166398
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]azanium
CID 6912877
2-hydroxyethyl-bis(icos-9-enyl)-methylazanium
CID 173220968

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium (CID 101277785) is 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium is CCCCC/C=C/CCC(=O)N(C)CC[N+](C)(C)CCO.
What is the InChIKey of 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is VAAKGIAGXZLVPN-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H35N2O2/c1-5-6-7-8-9-10-11-12-17(21)18(2)13-14-19(3,4)15-16-20/h9-10,20H,5-8,11-16H2,1-4H3/q+1/b10-9+.
What are the key properties of 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium?
2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 299.48 g/mol, XLogP of 2.43, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-dec-4-enoyl]-methylamino]ethyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 101277785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).