5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one

C13H23N3O — CID 116571370

IUPAC5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
SMILESCCCn1ccnc1CC(=O)CCC(C)(C)N
InChIInChI=1S/C13H23N3O/c1-4-8-16-9-7-15-12(16)10-11(17)5-6-13(2,3)14/h7,9H,4-6,8,10,14H2,1-3H3
InChIKeyXTWQSPFCFCEMMR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.92
Rot. Bonds7

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

5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one (PubChem CID 116571370) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
PubChem CID116571370
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
SMILESCCCn1ccnc1CC(=O)CCC(C)(C)N
InChIInChI=1S/C13H23N3O/c1-4-8-16-9-7-15-12(16)10-11(17)5-6-13(2,3)14/h7,9H,4-6,8,10,14H2,1-3H3
InChIKeyXTWQSPFCFCEMMR-UHFFFAOYSA-N
XLogP1.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
CID 116582877
3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116610902
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
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
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
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one?
The IUPAC name of 5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one (CID 116571370) is 5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one.
What is the SMILES notation for 5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one?
The canonical SMILES for 5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one is CCCn1ccnc1CC(=O)CCC(C)(C)N.
What is the InChIKey of 5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one?
The InChIKey is XTWQSPFCFCEMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-8-16-9-7-15-12(16)10-11(17)5-6-13(2,3)14/h7,9H,4-6,8,10,14H2,1-3H3.
What are the key properties of 5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one?
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one is sourced from PubChem (CID 116571370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).