4-amino-5-hexyl-1,5-dimethylimidazol-2-one

C11H21N3O — CID 79959264

IUPAC4-amino-5-hexyl-1,5-dimethylimidazol-2-one
SMILESCCCCCCC1(C)C(N)=NC(=O)N1C
InChIInChI=1S/C11H21N3O/c1-4-5-6-7-8-11(2)9(12)13-10(15)14(11)3/h4-8H2,1-3H3,(H2,12,13,15)
InChIKeyWWSWVJKLSZETSW-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.14
Rot. Bonds5

About 4-amino-5-hexyl-1,5-dimethylimidazol-2-one

4-amino-5-hexyl-1,5-dimethylimidazol-2-one (PubChem CID 79959264) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-amino-5-hexyl-1,5-dimethylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-hexyl-1,5-dimethylimidazol-2-one
PubChem CID79959264
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-amino-5-hexyl-1,5-dimethylimidazol-2-one
SMILESCCCCCCC1(C)C(N)=NC(=O)N1C
InChIInChI=1S/C11H21N3O/c1-4-5-6-7-8-11(2)9(12)13-10(15)14(11)3/h4-8H2,1-3H3,(H2,12,13,15)
InChIKeyWWSWVJKLSZETSW-UHFFFAOYSA-N
XLogP2.14
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Amino-1,5-dimethyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
CID 116536457
4-Amino-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 55250806
4-Amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959228
4-Amino-8-ethyl-1-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79959245
4-Amino-1,6,7-trimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959261
4-Amino-5-heptyl-1,5-dimethylimidazol-2-one
CID 79959265
4-Amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79959447
4-Amino-5-methyl-1,5-dipropylimidazol-2-one
CID 79959459
4-Amino-1-propyl-1,3-diazaspiro[4.7]dodec-3-en-2-one
CID 79959466
4-Amino-7-ethyl-1-propyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959473
4-Amino-1-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79959493
4-Amino-1-methyl-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959496

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hexyl-1,5-dimethylimidazol-2-one?
The IUPAC name of 4-amino-5-hexyl-1,5-dimethylimidazol-2-one (CID 79959264) is 4-amino-5-hexyl-1,5-dimethylimidazol-2-one.
What is the SMILES notation for 4-amino-5-hexyl-1,5-dimethylimidazol-2-one?
The canonical SMILES for 4-amino-5-hexyl-1,5-dimethylimidazol-2-one is CCCCCCC1(C)C(N)=NC(=O)N1C.
What is the InChIKey of 4-amino-5-hexyl-1,5-dimethylimidazol-2-one?
The InChIKey is WWSWVJKLSZETSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-6-7-8-11(2)9(12)13-10(15)14(11)3/h4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 4-amino-5-hexyl-1,5-dimethylimidazol-2-one?
4-amino-5-hexyl-1,5-dimethylimidazol-2-one has a molecular weight of 211.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hexyl-1,5-dimethylimidazol-2-one is sourced from PubChem (CID 79959264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).