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

Analyze 4-amino-5,5-dimethyl-1-propylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960085
4-amino-5-butyl-5-ethyl-1-propylimidazol-2-one
CID 79960861
4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one
CID 114835184
4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961225
4-amino-5-ethyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967094
4-amino-5-heptyl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79968331
4-amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960281
4-amino-1-prop-2-enyl-5,5-dipropylimidazol-2-one
CID 79968076
4-amino-5,5-dipropyl-1-prop-2-ynylimidazol-2-one
CID 79966977
4-amino-5-butan-2-yl-1-(2-methoxyethyl)-5-methylimidazol-2-one
CID 79967017
4-amino-5-cyclopropyl-1,5-diethylimidazol-2-one
CID 79961990
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912

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).