4-amino-5,5-dimethyl-1-propylimidazol-2-one

C8H15N3O — CID 79959875

IUPAC4-amino-5,5-dimethyl-1-propylimidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1(C)C
InChIInChI=1S/C8H15N3O/c1-4-5-11-7(12)10-6(9)8(11,2)3/h4-5H2,1-3H3,(H2,9,10,12)
InChIKeyLPOGKBJQTITQLB-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.97
Rot. Bonds2

About 4-amino-5,5-dimethyl-1-propylimidazol-2-one

4-amino-5,5-dimethyl-1-propylimidazol-2-one (PubChem CID 79959875) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-amino-5,5-dimethyl-1-propylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5,5-dimethyl-1-propylimidazol-2-one
PubChem CID79959875
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-amino-5,5-dimethyl-1-propylimidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1(C)C
InChIInChI=1S/C8H15N3O/c1-4-5-11-7(12)10-6(9)8(11,2)3/h4-5H2,1-3H3,(H2,9,10,12)
InChIKeyLPOGKBJQTITQLB-UHFFFAOYSA-N
XLogP0.97
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-dimethyl-1-propylimidazol-2-one?
The IUPAC name of 4-amino-5,5-dimethyl-1-propylimidazol-2-one (CID 79959875) is 4-amino-5,5-dimethyl-1-propylimidazol-2-one.
What is the SMILES notation for 4-amino-5,5-dimethyl-1-propylimidazol-2-one?
The canonical SMILES for 4-amino-5,5-dimethyl-1-propylimidazol-2-one is CCCN1C(=O)N=C(N)C1(C)C.
What is the InChIKey of 4-amino-5,5-dimethyl-1-propylimidazol-2-one?
The InChIKey is LPOGKBJQTITQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-5-11-7(12)10-6(9)8(11,2)3/h4-5H2,1-3H3,(H2,9,10,12).
What are the key properties of 4-amino-5,5-dimethyl-1-propylimidazol-2-one?
4-amino-5,5-dimethyl-1-propylimidazol-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-dimethyl-1-propylimidazol-2-one is sourced from PubChem (CID 79959875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).