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

C11H19N3O2 — CID 116590952

IUPAC1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
SMILESCCCn1ccnc1CC(=O)COCCN
InChIInChI=1S/C11H19N3O2/c1-2-5-14-6-4-13-11(14)8-10(15)9-16-7-3-12/h4,6H,2-3,5,7-9,12H2,1H3
InChIKeyLEVGMJXJLMAWJA-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.38
Rot. Bonds8

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

1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one (PubChem CID 116590952) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
PubChem CID116590952
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
SMILESCCCn1ccnc1CC(=O)COCCN
InChIInChI=1S/C11H19N3O2/c1-2-5-14-6-4-13-11(14)8-10(15)9-16-7-3-12/h4,6H,2-3,5,7-9,12H2,1H3
InChIKeyLEVGMJXJLMAWJA-UHFFFAOYSA-N
XLogP0.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.38
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-ethylimidazol-2-yl)propan-2-one
CID 116590833
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
CID 116582877
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
1-(2-methylpropylsulfanyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744194
3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116610902
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one (CID 116590952) is 1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one is CCCn1ccnc1CC(=O)COCCN.
What is the InChIKey of 1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one?
The InChIKey is LEVGMJXJLMAWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-5-14-6-4-13-11(14)8-10(15)9-16-7-3-12/h4,6H,2-3,5,7-9,12H2,1H3.
What are the key properties of 1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one?
1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.38, 8 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-propylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 116590952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).