4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one

C11H21N3O — CID 79959884

IUPAC4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1(C)CC(C)C
InChIInChI=1S/C11H21N3O/c1-5-6-14-10(15)13-9(12)11(14,4)7-8(2)3/h8H,5-7H2,1-4H3,(H2,12,13,15)
InChIKeyZLVRYBRUIQCSAW-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.99
Rot. Bonds4

About 4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one

4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one (PubChem CID 79959884) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one
PubChem CID79959884
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1(C)CC(C)C
InChIInChI=1S/C11H21N3O/c1-5-6-14-10(15)13-9(12)11(14,4)7-8(2)3/h8H,5-7H2,1-4H3,(H2,12,13,15)
InChIKeyZLVRYBRUIQCSAW-UHFFFAOYSA-N
XLogP1.99
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one?
The IUPAC name of 4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one (CID 79959884) is 4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one.
What is the SMILES notation for 4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one?
The canonical SMILES for 4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one is CCCN1C(=O)N=C(N)C1(C)CC(C)C.
What is the InChIKey of 4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one?
The InChIKey is ZLVRYBRUIQCSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-6-14-10(15)13-9(12)11(14,4)7-8(2)3/h8H,5-7H2,1-4H3,(H2,12,13,15).
What are the key properties of 4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one?
4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one has a molecular weight of 211.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-5-(2-methylpropyl)-1-propylimidazol-2-one is sourced from PubChem (CID 79959884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).