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

C12H21N3O2 — CID 66152017

IUPAC2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C1CCCOC1
InChIInChI=1S/C12H21N3O2/c1-16-6-4-13-7-12-8-14-10-15(12)11-3-2-5-17-9-11/h8,10-11,13H,2-7,9H2,1H3
InChIKeyFWIAEKZFQOOUPF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.97
Rot. Bonds6

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

2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66152017) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
PubChem CID66152017
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C1CCCOC1
InChIInChI=1S/C12H21N3O2/c1-16-6-4-13-7-12-8-14-10-15(12)11-3-2-5-17-9-11/h8,10-11,13H,2-7,9H2,1H3
InChIKeyFWIAEKZFQOOUPF-UHFFFAOYSA-N
XLogP0.97
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.97
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-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 80714864
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152226
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66152227
N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66150519
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
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113405061
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66162475
N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147577
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
2-methoxy-N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66151760
N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66149040

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine (CID 66152017) is 2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cncn1C1CCCOC1.
What is the InChIKey of 2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is FWIAEKZFQOOUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-16-6-4-13-7-12-8-14-10-15(12)11-3-2-5-17-9-11/h8,10-11,13H,2-7,9H2,1H3.
What are the key properties of 2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 0.97, 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-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66152017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).