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

C14H23N5O — CID 103015799

IUPAC2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C)n1CCc1cnn(C)c1
InChIInChI=1S/C14H23N5O/c1-12-16-10-14(9-15-5-7-20-3)19(12)6-4-13-8-17-18(2)11-13/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyAOUCAPJSBNKNIW-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.90
Rot. Bonds8

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

2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 103015799) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine
PubChem CID103015799
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C)n1CCc1cnn(C)c1
InChIInChI=1S/C14H23N5O/c1-12-16-10-14(9-15-5-7-20-3)19(12)6-4-13-8-17-18(2)11-13/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyAOUCAPJSBNKNIW-UHFFFAOYSA-N
XLogP0.90
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 65172293
2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 103005538
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine
CID 103015784
2-methoxy-N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine
CID 65172189
2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 65172394
N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine
CID 80682636
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methoxyethanamine
CID 107888058
3-(2-methoxyethoxy)-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28721823
N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121
N-(2-methoxyethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80689226
N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62719344

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine (CID 103015799) is 2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine is COCCNCc1cnc(C)n1CCc1cnn(C)c1.
What is the InChIKey of 2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is AOUCAPJSBNKNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-12-16-10-14(9-15-5-7-20-3)19(12)6-4-13-8-17-18(2)11-13/h8,10-11,15H,4-7,9H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 103015799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).