2-(2-imidazol-1-ylethoxy)-N-methylethanamine

C8H15N3O — CID 106937829

IUPAC2-(2-imidazol-1-ylethoxy)-N-methylethanamine
SMILESCNCCOCCn1ccnc1
InChIInChI=1S/C8H15N3O/c1-9-3-6-12-7-5-11-4-2-10-8-11/h2,4,8-9H,3,5-7H2,1H3
InChIKeyTWQWKRVIKDBRDG-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.12
Rot. Bonds6

About 2-(2-imidazol-1-ylethoxy)-N-methylethanamine

2-(2-imidazol-1-ylethoxy)-N-methylethanamine (PubChem CID 106937829) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethoxy)-N-methylethanamine
PubChem CID106937829
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(2-imidazol-1-ylethoxy)-N-methylethanamine
SMILESCNCCOCCn1ccnc1
InChIInChI=1S/C8H15N3O/c1-9-3-6-12-7-5-11-4-2-10-8-11/h2,4,8-9H,3,5-7H2,1H3
InChIKeyTWQWKRVIKDBRDG-UHFFFAOYSA-N
XLogP0.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.12
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

1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
1-[2-(2-propoxyethoxy)ethyl]imidazole
CID 54030122
1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
CID 176721409
3-(2-imidazol-1-ylethoxy)propan-1-amine
CID 106938071
1-(2-methoxyethyl)imidazole
CID 14366840
2-[2-(2-imidazol-1-ylethylamino)ethoxy]ethanol
CID 60689604
1-(2-prop-2-enoxyethyl)imidazole
CID 141049243
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-(3-butoxypropyl)-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 75420975
1-(13-ethoxytridecyl)imidazole
CID 145255635

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethoxy)-N-methylethanamine?
The IUPAC name of 2-(2-imidazol-1-ylethoxy)-N-methylethanamine (CID 106937829) is 2-(2-imidazol-1-ylethoxy)-N-methylethanamine.
What is the SMILES notation for 2-(2-imidazol-1-ylethoxy)-N-methylethanamine?
The canonical SMILES for 2-(2-imidazol-1-ylethoxy)-N-methylethanamine is CNCCOCCn1ccnc1.
What is the InChIKey of 2-(2-imidazol-1-ylethoxy)-N-methylethanamine?
The InChIKey is TWQWKRVIKDBRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-9-3-6-12-7-5-11-4-2-10-8-11/h2,4,8-9H,3,5-7H2,1H3.
What are the key properties of 2-(2-imidazol-1-ylethoxy)-N-methylethanamine?
2-(2-imidazol-1-ylethoxy)-N-methylethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethoxy)-N-methylethanamine is sourced from PubChem (CID 106937829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).