1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one

C10H17N3O2 — CID 116590833

IUPAC1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one
SMILESCCn1ccnc1CC(=O)COCCN
InChIInChI=1S/C10H17N3O2/c1-2-13-5-4-12-10(13)7-9(14)8-15-6-3-11/h4-5H,2-3,6-8,11H2,1H3
InChIKeyIAMXRZQGDRMLSD-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.01
Rot. Bonds7

About 1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one

1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one (PubChem CID 116590833) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one
PubChem CID116590833
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one
SMILESCCn1ccnc1CC(=O)COCCN
InChIInChI=1S/C10H17N3O2/c1-2-13-5-4-12-10(13)7-9(14)8-15-6-3-11/h4-5H,2-3,6-8,11H2,1H3
InChIKeyIAMXRZQGDRMLSD-UHFFFAOYSA-N
XLogP-0.01
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116590952
1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-one
CID 79743912
4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
CID 79745031
1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588500
1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-one
CID 79744818
1-(4-bromophenyl)-3-(1-ethylimidazol-2-yl)propan-2-one
CID 79743810
1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558888
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502
3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-one
CID 116710314
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707035

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one (CID 116590833) is 1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one is CCn1ccnc1CC(=O)COCCN.
What is the InChIKey of 1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one?
The InChIKey is IAMXRZQGDRMLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-13-5-4-12-10(13)7-9(14)8-15-6-3-11/h4-5H,2-3,6-8,11H2,1H3.
What are the key properties of 1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one?
1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one has a molecular weight of 211.26 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-3-(1-ethylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 116590833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).