1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine

C8H15N3O — CID 53405687

IUPAC1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1ncc[nH]1
InChIInChI=1S/C8H15N3O/c1-7(9-5-6-12-2)8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11)
InChIKeyTXYZDUNBOPUEOW-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.71
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine

1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 53405687) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID53405687
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1ncc[nH]1
InChIInChI=1S/C8H15N3O/c1-7(9-5-6-12-2)8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11)
InChIKeyTXYZDUNBOPUEOW-UHFFFAOYSA-N
XLogP0.71
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(1H-imidazol-2-yl)ethyl]-3-(3-methoxypropyl)thiourea
CID 116510318
2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide
CID 114385222
N-benzyl-1-(1H-imidazol-2-yl)ethanamine
CID 22398694
N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine
CID 114856593
1-(1H-imidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 91513422
N-(2-methoxyethyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 115705603
2-[1-(1H-imidazol-2-yl)ethylamino]ethanethiol;1,3,5-trichloro-2-(2,4,6-trichlorophenyl)sulfanylbenzene
CID 88679275
2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole
CID 123320815
methyl 2-(1H-imidazol-2-yl)propanoate
CID 67005810
butyl N-[(1S)-1-(1H-imidazol-2-yl)ethyl]carbamate
CID 139947377
N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine
CID 114810309
2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine (CID 53405687) is 1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine is COCCNC(C)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is TXYZDUNBOPUEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(9-5-6-12-2)8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3,(H,10,11).
What are the key properties of 1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine?
1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 53405687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).