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

C13H25N3O — CID 66148404

IUPAC2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
SMILESCCC(C)C(C)n1cncc1CNCCOC
InChIInChI=1S/C13H25N3O/c1-5-11(2)12(3)16-10-15-9-13(16)8-14-6-7-17-4/h9-12,14H,5-8H2,1-4H3
InChIKeyZLRTXZYUVQCFCQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.23
Rot. Bonds8

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

2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66148404) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
PubChem CID66148404
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
SMILESCCC(C)C(C)n1cncc1CNCCOC
InChIInChI=1S/C13H25N3O/c1-5-11(2)12(3)16-10-15-9-13(16)8-14-6-7-17-4/h9-12,14H,5-8H2,1-4H3
InChIKeyZLRTXZYUVQCFCQ-UHFFFAOYSA-N
XLogP2.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66146120
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66150173
2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66146731
5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole
CID 66149787
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531
N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66148416
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146107
N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66146924
3-(3-methylpentan-2-yl)imidazole-4-carbaldehyde
CID 66146373

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine (CID 66148404) is 2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine is CCC(C)C(C)n1cncc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is ZLRTXZYUVQCFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-11(2)12(3)16-10-15-9-13(16)8-14-6-7-17-4/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66148404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).