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

C14H25N3O2 — CID 79364978

IUPAC2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCOC1c1cncn1C(C)C
InChIInChI=1S/C14H25N3O2/c1-11(2)17-10-16-9-13(17)14-12(4-6-19-14)8-15-5-7-18-3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyADWGRXBDJPIVRC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.78
Rot. Bonds7

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

2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine (PubChem CID 79364978) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine
PubChem CID79364978
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCOC1c1cncn1C(C)C
InChIInChI=1S/C14H25N3O2/c1-11(2)17-10-16-9-13(17)14-12(4-6-19-14)8-15-5-7-18-3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyADWGRXBDJPIVRC-UHFFFAOYSA-N
XLogP1.78
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.78
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-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methanamine
CID 79368224
2-(3-propan-2-ylimidazol-4-yl)oxolan-3-amine
CID 79365132
2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
CID 79365253
N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79370684
N-[[2-(5-bromo-2-pyridinyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 113394148
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365254
N-[[2-(2-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365257
N-[[1-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 66161976
2-methoxy-N-[(2-pyridin-3-yloxan-3-yl)methyl]ethanamine
CID 79365670
N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365888
N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 114489396
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 81442199

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine (CID 79364978) is 2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine is COCCNCC1CCOC1c1cncn1C(C)C.
What is the InChIKey of 2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is ADWGRXBDJPIVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)17-10-16-9-13(17)14-12(4-6-19-14)8-15-5-7-18-3/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine?
2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(3-propan-2-ylimidazol-4-yl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 79364978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).