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

C12H21N3O2 — CID 116593833

IUPAC2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one
SMILESCCCn1ccnc1C(=O)C(N)CCCOC
InChIInChI=1S/C12H21N3O2/c1-3-7-15-8-6-14-12(15)11(16)10(13)5-4-9-17-2/h6,8,10H,3-5,7,9,13H2,1-2H3
InChIKeyMDALKIYWXZUJTG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.23
Rot. Bonds8

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

2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one (PubChem CID 116593833) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one
PubChem CID116593833
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one
SMILESCCCn1ccnc1C(=O)C(N)CCCOC
InChIInChI=1S/C12H21N3O2/c1-3-7-15-8-6-14-12(15)11(16)10(13)5-4-9-17-2/h6,8,10H,3-5,7,9,13H2,1-2H3
InChIKeyMDALKIYWXZUJTG-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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

5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine
CID 102927817
2-amino-5-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114670350
2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one
CID 116598013
2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one
CID 116593749
methyl 1-butylimidazole-2-carboxylate
CID 137346516
ethyl 3-[1-(2-methoxyethyl)imidazol-2-yl]-3-oxopropanoate
CID 58066151
3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol
CID 102927681

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one?
The IUPAC name of 2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one (CID 116593833) is 2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one.
What is the SMILES notation for 2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one?
The canonical SMILES for 2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one is CCCn1ccnc1C(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one?
The InChIKey is MDALKIYWXZUJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-7-15-8-6-14-12(15)11(16)10(13)5-4-9-17-2/h6,8,10H,3-5,7,9,13H2,1-2H3.
What are the key properties of 2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one?
2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one has a molecular weight of 239.32 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one is sourced from PubChem (CID 116593833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).