2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine

C12H23N3O — CID 106720362

IUPAC2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCC(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-11(2)4-6-15-9-12(14-10-15)8-13-5-7-16-3/h9-11,13H,4-8H2,1-3H3
InChIKeyQKRSTWIKENNRKC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.67
Rot. Bonds8

About 2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 106720362) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
PubChem CID106720362
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn(CCC(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-11(2)4-6-15-9-12(14-10-15)8-13-5-7-16-3/h9-11,13H,4-8H2,1-3H3
InChIKeyQKRSTWIKENNRKC-UHFFFAOYSA-N
XLogP1.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.67
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-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
N-[[1-(3-imidazol-1-ylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720542
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 106720576
N-[[1-(3-ethylsulfonylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720370
2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106720444
methyl 4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanoate
CID 106720528
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720594
2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720538
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106720525

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine (CID 106720362) is 2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cn(CCC(C)C)cn1.
What is the InChIKey of 2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is QKRSTWIKENNRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)4-6-15-9-12(14-10-15)8-13-5-7-16-3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106720362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).