1-methylimidazole;1-propoxypropane

C10H20N2O — CID 158766407

IUPAC1-methylimidazole;1-propoxypropane
SMILESCCCOCCC.Cn1ccnc1
InChIInChI=1S/C6H14O.C4H6N2/c1-3-5-7-6-4-2;1-6-3-2-5-4-6/h3-6H2,1-2H3;2-4H,1H3
InChIKeyIPHVTTZGXLBLGY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.24
Rot. Bonds4

About 1-methylimidazole;1-propoxypropane

1-methylimidazole;1-propoxypropane (PubChem CID 158766407) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-methylimidazole;1-propoxypropane.

Molecular Properties

Compound Name1-methylimidazole;1-propoxypropane
PubChem CID158766407
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-methylimidazole;1-propoxypropane
SMILESCCCOCCC.Cn1ccnc1
InChIInChI=1S/C6H14O.C4H6N2/c1-3-5-7-6-4-2;1-6-3-2-5-4-6/h3-6H2,1-2H3;2-4H,1H3
InChIKeyIPHVTTZGXLBLGY-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;1-propoxypropane?
The IUPAC name of 1-methylimidazole;1-propoxypropane (CID 158766407) is 1-methylimidazole;1-propoxypropane.
What is the SMILES notation for 1-methylimidazole;1-propoxypropane?
The canonical SMILES for 1-methylimidazole;1-propoxypropane is CCCOCCC.Cn1ccnc1.
What is the InChIKey of 1-methylimidazole;1-propoxypropane?
The InChIKey is IPHVTTZGXLBLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H6N2/c1-3-5-7-6-4-2;1-6-3-2-5-4-6/h3-6H2,1-2H3;2-4H,1H3.
What are the key properties of 1-methylimidazole;1-propoxypropane?
1-methylimidazole;1-propoxypropane has a molecular weight of 184.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;1-propoxypropane is sourced from PubChem (CID 158766407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).