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

C12H21N3O — CID 116594917

IUPAC5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(C)CCN
InChIInChI=1S/C12H21N3O/c1-3-7-15-8-6-14-12(15)9-11(16)10(2)4-5-13/h6,8,10H,3-5,7,9,13H2,1-2H3
InChIKeyMALHELGJIBIXKH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.39
Rot. Bonds7

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

5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one (PubChem CID 116594917) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
PubChem CID116594917
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(C)CCN
InChIInChI=1S/C12H21N3O/c1-3-7-15-8-6-14-12(15)9-11(16)10(2)4-5-13/h6,8,10H,3-5,7,9,13H2,1-2H3
InChIKeyMALHELGJIBIXKH-UHFFFAOYSA-N
XLogP1.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
CID 116582877
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116708178
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317
1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116590952
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
1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 116600658
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The IUPAC name of 5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one (CID 116594917) is 5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The canonical SMILES for 5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one is CCCn1ccnc1CC(=O)C(C)CCN.
What is the InChIKey of 5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The InChIKey is MALHELGJIBIXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-7-15-8-6-14-12(15)9-11(16)10(2)4-5-13/h6,8,10H,3-5,7,9,13H2,1-2H3.
What are the key properties of 5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 116594917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).