2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine

C17H33N3O — CID 10589993

IUPAC2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine
SMILESCOCCCCCCCCCCCc1ncc(CCN)[nH]1
InChIInChI=1S/C17H33N3O/c1-21-14-10-8-6-4-2-3-5-7-9-11-17-19-15-16(20-17)12-13-18/h15H,2-14,18H2,1H3,(H,19,20)
InChIKeyDLBHHGDGVLSAOC-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.61
Rot. Bonds14

About 2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine

2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 10589993) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine
PubChem CID10589993
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine
SMILESCOCCCCCCCCCCCc1ncc(CCN)[nH]1
InChIInChI=1S/C17H33N3O/c1-21-14-10-8-6-4-2-3-5-7-9-11-17-19-15-16(20-17)12-13-18/h15H,2-14,18H2,1H3,(H,19,20)
InChIKeyDLBHHGDGVLSAOC-UHFFFAOYSA-N
XLogP3.61
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine (CID 10589993) is 2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine is COCCCCCCCCCCCc1ncc(CCN)[nH]1.
What is the InChIKey of 2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is DLBHHGDGVLSAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-21-14-10-8-6-4-2-3-5-7-9-11-17-19-15-16(20-17)12-13-18/h15H,2-14,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine?
2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 295.47 g/mol, XLogP of 3.61, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(11-methoxyundecyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 10589993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).