3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one

C12H21N3O2 — CID 116567317

IUPAC3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(N)CCOC
InChIInChI=1S/C12H21N3O2/c1-3-6-15-7-5-14-12(15)9-11(16)10(13)4-8-17-2/h5,7,10H,3-4,6,8-9,13H2,1-2H3
InChIKeyWKEAKMGDEASCRN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.77
Rot. Bonds8

About 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one

3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one (PubChem CID 116567317) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
PubChem CID116567317
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(N)CCOC
InChIInChI=1S/C12H21N3O2/c1-3-6-15-7-5-14-12(15)9-11(16)10(13)4-8-17-2/h5,7,10H,3-4,6,8-9,13H2,1-2H3
InChIKeyWKEAKMGDEASCRN-UHFFFAOYSA-N
XLogP0.77
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116708178
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
3-amino-4-methoxy-1-(1-methylimidazol-2-yl)butan-2-one
CID 116594114
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one
CID 116593833
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116590952
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine
CID 102927817

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one?
The IUPAC name of 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one (CID 116567317) is 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one?
The canonical SMILES for 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one is CCCn1ccnc1CC(=O)C(N)CCOC.
What is the InChIKey of 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one?
The InChIKey is WKEAKMGDEASCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-6-15-7-5-14-12(15)9-11(16)10(13)4-8-17-2/h5,7,10H,3-4,6,8-9,13H2,1-2H3.
What are the key properties of 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one?
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one has a molecular weight of 239.32 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 116567317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).