2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine

C11H19N3O2 — CID 80714864

IUPAC2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C1CCOC1
InChIInChI=1S/C11H19N3O2/c1-15-5-3-12-6-11-7-13-9-14(11)10-2-4-16-8-10/h7,9-10,12H,2-6,8H2,1H3
InChIKeyXNORNSYCZWJGMG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.58
Rot. Bonds6

About 2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine (PubChem CID 80714864) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine
PubChem CID80714864
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C1CCOC1
InChIInChI=1S/C11H19N3O2/c1-15-5-3-12-6-11-7-13-9-14(11)10-2-4-16-8-10/h7,9-10,12H,2-6,8H2,1H3
InChIKeyXNORNSYCZWJGMG-UHFFFAOYSA-N
XLogP0.58
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152017
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152226
2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66152200
2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine
CID 103968579
N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66150519
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113405061
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66152227
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 114126843
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-phenoxypropan-1-amine
CID 66140006

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine (CID 80714864) is 2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cncn1C1CCOC1.
What is the InChIKey of 2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is XNORNSYCZWJGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-15-5-3-12-6-11-7-13-9-14(11)10-2-4-16-8-10/h7,9-10,12H,2-6,8H2,1H3.
What are the key properties of 2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 225.29 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 80714864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).