[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine

C8H15N3O — CID 63108990

IUPAC[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine
SMILESCCCOCc1ncc(CN)[nH]1
InChIInChI=1S/C8H15N3O/c1-2-3-12-6-8-10-5-7(4-9)11-8/h5H,2-4,6,9H2,1H3,(H,10,11)
InChIKeyAHIUANGTHWTGJJ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.80
Rot. Bonds5

About [2-(propoxymethyl)-1H-imidazol-5-yl]methanamine

[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine (PubChem CID 63108990) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is [2-(propoxymethyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine
PubChem CID63108990
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine
SMILESCCCOCc1ncc(CN)[nH]1
InChIInChI=1S/C8H15N3O/c1-2-3-12-6-8-10-5-7(4-9)11-8/h5H,2-4,6,9H2,1H3,(H,10,11)
InChIKeyAHIUANGTHWTGJJ-UHFFFAOYSA-N
XLogP0.80
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.80
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-(propoxymethyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(propoxymethyl)-1H-imidazol-5-yl]methanamine (CID 63108990) is [2-(propoxymethyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(propoxymethyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(propoxymethyl)-1H-imidazol-5-yl]methanamine is CCCOCc1ncc(CN)[nH]1.
What is the InChIKey of [2-(propoxymethyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is AHIUANGTHWTGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-12-6-8-10-5-7(4-9)11-8/h5H,2-4,6,9H2,1H3,(H,10,11).
What are the key properties of [2-(propoxymethyl)-1H-imidazol-5-yl]methanamine?
[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 169.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propoxymethyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 63108990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).