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

C13H25N3O — CID 66146120

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

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

2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66146120) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine
PubChem CID66146120
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine
SMILESCCC(C(C)C)n1cncc1CNCCOC
InChIInChI=1S/C13H25N3O/c1-5-13(11(2)3)16-10-15-9-12(16)8-14-6-7-17-4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyFOPXAQIEBBKGFW-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-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148404
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine
CID 66148631
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
2-methyl-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66148627
N-[[3-(1-ethoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114115032
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-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66148416

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine (CID 66146120) is 2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine is CCC(C(C)C)n1cncc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is FOPXAQIEBBKGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-13(11(2)3)16-10-15-9-12(16)8-14-6-7-17-4/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[3-(2-methylpentan-3-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-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66146120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).