2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol

C17H33N2O+ — CID 101329816

IUPAC2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol
SMILESCCCCCC/C=C/CCC1N=CC[N+]1(CC)CCO
InChIInChI=1S/C17H33N2O/c1-3-5-6-7-8-9-10-11-12-17-18-13-14-19(17,4-2)15-16-20/h9-10,13,17,20H,3-8,11-12,14-16H2,1-2H3/q+1/b10-9+
InChIKeyPYNCLYISOKBLFV-MDZDMXLPSA-N
MW281.46 g/mol
LogP3.53
Rot. Bonds11

About 2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol

2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol (PubChem CID 101329816) has the molecular formula C17H33N2O+ and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol
PubChem CID101329816
Molecular FormulaC17H33N2O+
Molecular Weight281.46 g/mol
Exact Mass281.26
IUPAC Name2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol
SMILESCCCCCC/C=C/CCC1N=CC[N+]1(CC)CCO
InChIInChI=1S/C17H33N2O/c1-3-5-6-7-8-9-10-11-12-17-18-13-14-19(17,4-2)15-16-20/h9-10,13,17,20H,3-8,11-12,14-16H2,1-2H3/q+1/b10-9+
InChIKeyPYNCLYISOKBLFV-MDZDMXLPSA-N
XLogP3.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.53
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-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol 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-[3-ethyl-2-[(E)-pentadec-3-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330184
2-[3-ethyl-2-[(E)-heptadec-9-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330366
2-[3-ethyl-2-[(E)-henicos-5-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330794
2-[3-ethyl-2-[(E)-nonadec-5-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330566
2-[3-ethyl-2-[(E)-icos-11-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330683
2-[3-ethyl-2-[(E)-henicos-14-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330803
2-[3-ethyl-2-[(E)-hexadec-8-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330276
2-[2-[(E)-dec-4-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101329817
2-[3-ethyl-2-[(E)-nonadec-2-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330563
2-[3-ethyl-2-[(E)-hexadec-2-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330270
2-[3-ethyl-2-[(E)-undec-8-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101329901
2-[3-ethyl-2-[(E)-hept-4-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101329705

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol?
The IUPAC name of 2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol (CID 101329816) is 2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol.
What is the SMILES notation for 2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol?
The canonical SMILES for 2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol is CCCCCC/C=C/CCC1N=CC[N+]1(CC)CCO.
What is the InChIKey of 2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol?
The InChIKey is PYNCLYISOKBLFV-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H33N2O/c1-3-5-6-7-8-9-10-11-12-17-18-13-14-19(17,4-2)15-16-20/h9-10,13,17,20H,3-8,11-12,14-16H2,1-2H3/q+1/b10-9+.
What are the key properties of 2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol?
2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol has a molecular weight of 281.46 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-dec-3-enyl]-3-ethyl-2,4-dihydroimidazol-3-ium-3-yl]ethanol is sourced from PubChem (CID 101329816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).