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

C12H21N3O — CID 116612267

IUPAC4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(C)C(C)N
InChIInChI=1S/C12H21N3O/c1-4-6-15-7-5-14-12(15)8-11(16)9(2)10(3)13/h5,7,9-10H,4,6,8,13H2,1-3H3
InChIKeyOLELBYCSTGKMNB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.39
Rot. Bonds6

About 4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one

4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one (PubChem CID 116612267) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
PubChem CID116612267
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(C)C(C)N
InChIInChI=1S/C12H21N3O/c1-4-6-15-7-5-14-12(15)8-11(16)9(2)10(3)13/h5,7,9-10H,4,6,8,13H2,1-3H3
InChIKeyOLELBYCSTGKMNB-UHFFFAOYSA-N
XLogP1.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502
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
1-(2-methylpropylsulfanyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744194
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The IUPAC name of 4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one (CID 116612267) is 4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The canonical SMILES for 4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one is CCCn1ccnc1CC(=O)C(C)C(C)N.
What is the InChIKey of 4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The InChIKey is OLELBYCSTGKMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-15-7-5-14-12(15)8-11(16)9(2)10(3)13/h5,7,9-10H,4,6,8,13H2,1-3H3.
What are the key properties of 4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 116612267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).