3-amino-1-(1-propylimidazol-2-yl)pentan-2-one

C11H19N3O — CID 116584036

IUPAC3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(N)CC
InChIInChI=1S/C11H19N3O/c1-3-6-14-7-5-13-11(14)8-10(15)9(12)4-2/h5,7,9H,3-4,6,8,12H2,1-2H3
InChIKeyGQGORUUBSORJSI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.14
Rot. Bonds6

About 3-amino-1-(1-propylimidazol-2-yl)pentan-2-one

3-amino-1-(1-propylimidazol-2-yl)pentan-2-one (PubChem CID 116584036) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-1-(1-propylimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
PubChem CID116584036
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(N)CC
InChIInChI=1S/C11H19N3O/c1-3-6-14-7-5-13-11(14)8-10(15)9(12)4-2/h5,7,9H,3-4,6,8,12H2,1-2H3
InChIKeyGQGORUUBSORJSI-UHFFFAOYSA-N
XLogP1.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116708178
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
3-amino-4-methoxy-1-(1-methylimidazol-2-yl)butan-2-one
CID 116594114
5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116570854
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 79744288

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-propylimidazol-2-yl)pentan-2-one?
The IUPAC name of 3-amino-1-(1-propylimidazol-2-yl)pentan-2-one (CID 116584036) is 3-amino-1-(1-propylimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-amino-1-(1-propylimidazol-2-yl)pentan-2-one?
The canonical SMILES for 3-amino-1-(1-propylimidazol-2-yl)pentan-2-one is CCCn1ccnc1CC(=O)C(N)CC.
What is the InChIKey of 3-amino-1-(1-propylimidazol-2-yl)pentan-2-one?
The InChIKey is GQGORUUBSORJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-6-14-7-5-13-11(14)8-10(15)9(12)4-2/h5,7,9H,3-4,6,8,12H2,1-2H3.
What are the key properties of 3-amino-1-(1-propylimidazol-2-yl)pentan-2-one?
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-propylimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 116584036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).