4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one

C12H21N3O — CID 115345722

IUPAC4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
SMILESCCCn1ccnc1CC(=O)CCN(C)C
InChIInChI=1S/C12H21N3O/c1-4-7-15-9-6-13-12(15)10-11(16)5-8-14(2)3/h6,9H,4-5,7-8,10H2,1-3H3
InChIKeyYNTKIWCQHVXISM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.36
Rot. Bonds7

About 4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one

4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one (PubChem CID 115345722) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
PubChem CID115345722
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
SMILESCCCn1ccnc1CC(=O)CCN(C)C
InChIInChI=1S/C12H21N3O/c1-4-7-15-9-6-13-12(15)10-11(16)5-8-14(2)3/h6,9H,4-5,7-8,10H2,1-3H3
InChIKeyYNTKIWCQHVXISM-UHFFFAOYSA-N
XLogP1.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
4-(diethylamino)-1-(1-ethylimidazol-2-yl)butan-2-one
CID 79745031
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
CID 116582877
1-(2-methylpropylsulfanyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744194
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
5-amino-5-phenyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116570854
1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116590952
1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744738
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one?
The IUPAC name of 4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one (CID 115345722) is 4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one?
The canonical SMILES for 4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one is CCCn1ccnc1CC(=O)CCN(C)C.
What is the InChIKey of 4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one?
The InChIKey is YNTKIWCQHVXISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-7-15-9-6-13-12(15)10-11(16)5-8-14(2)3/h6,9H,4-5,7-8,10H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one?
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one is sourced from PubChem (CID 115345722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).