7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one

C12H21N3O — CID 116581679

IUPAC7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one
SMILESCC(CCN)CCC(=O)Cc1nccn1C
InChIInChI=1S/C12H21N3O/c1-10(5-6-13)3-4-11(16)9-12-14-7-8-15(12)2/h7-8,10H,3-6,9,13H2,1-2H3
InChIKeyYKUGSAWLZWRSPO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.30
Rot. Bonds7

About 7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one

7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one (PubChem CID 116581679) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one.

Molecular Properties

Compound Name7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one
PubChem CID116581679
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one
SMILESCC(CCN)CCC(=O)Cc1nccn1C
InChIInChI=1S/C12H21N3O/c1-10(5-6-13)3-4-11(16)9-12-14-7-8-15(12)2/h7-8,10H,3-6,9,13H2,1-2H3
InChIKeyYKUGSAWLZWRSPO-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-5,5-dimethyl-1-(1-methylimidazol-2-yl)heptan-2-one
CID 116574886
1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79743827
1-(1-methylimidazol-2-yl)heptan-2-one
CID 115580314
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
CID 116582877
3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
CID 116549035
4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one
CID 102927313
1-tert-butylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-one
CID 79743927
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one
CID 105116298
1-(1-methylimidazol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105116272
1-(1-methylimidazol-2-yl)-4-piperidin-4-ylbutan-2-one
CID 116563440
6-amino-5-methyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-one
CID 116607530

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one?
The IUPAC name of 7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one (CID 116581679) is 7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one.
What is the SMILES notation for 7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one?
The canonical SMILES for 7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one is CC(CCN)CCC(=O)Cc1nccn1C.
What is the InChIKey of 7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one?
The InChIKey is YKUGSAWLZWRSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(5-6-13)3-4-11(16)9-12-14-7-8-15(12)2/h7-8,10H,3-6,9,13H2,1-2H3.
What are the key properties of 7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one?
7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-methyl-1-(1-methylimidazol-2-yl)heptan-2-one is sourced from PubChem (CID 116581679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).