2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine

C10H19N3O — CID 103482299

IUPAC2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine
SMILESCC(C)c1nccn1CCOCCN
InChIInChI=1S/C10H19N3O/c1-9(2)10-12-4-5-13(10)6-8-14-7-3-11/h4-5,9H,3,6-8,11H2,1-2H3
InChIKeyYMYHEOBBUUDHHT-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.98
Rot. Bonds6

About 2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine

2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine (PubChem CID 103482299) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine
PubChem CID103482299
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine
SMILESCC(C)c1nccn1CCOCCN
InChIInChI=1S/C10H19N3O/c1-9(2)10-12-4-5-13(10)6-8-14-7-3-11/h4-5,9H,3,6-8,11H2,1-2H3
InChIKeyYMYHEOBBUUDHHT-UHFFFAOYSA-N
XLogP0.98
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.98
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

3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
1-butyl-2-propan-2-ylimidazole
CID 11506521
N'-hydroxy-4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]benzenecarboximidamide
CID 61299445
1-(2-methoxyethoxymethyl)-2-propan-2-ylimidazole
CID 90402630
(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 28794327
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
1-pent-3-ynyl-2-propan-2-ylimidazole
CID 104743992
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline
CID 43519618
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine (CID 103482299) is 2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine is CC(C)c1nccn1CCOCCN.
What is the InChIKey of 2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine?
The InChIKey is YMYHEOBBUUDHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2)10-12-4-5-13(10)6-8-14-7-3-11/h4-5,9H,3,6-8,11H2,1-2H3.
What are the key properties of 2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine?
2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 103482299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).