N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine

C13H25N3O — CID 112591360

IUPACN-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CCOC(C)(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-5-14-7-6-12-10-16(11-15-12)8-9-17-13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyMRORSMOKOICOGB-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.85
Rot. Bonds7

About N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine

N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine (PubChem CID 112591360) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine
PubChem CID112591360
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CCOC(C)(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-5-14-7-6-12-10-16(11-15-12)8-9-17-13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyMRORSMOKOICOGB-UHFFFAOYSA-N
XLogP1.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine (CID 112591360) is N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine is CCNCCc1cn(CCOC(C)(C)C)cn1.
What is the InChIKey of N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine?
The InChIKey is MRORSMOKOICOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-14-7-6-12-10-16(11-15-12)8-9-17-13(2,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine?
N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 112591360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).