2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one

C11H21N3O — CID 45072288

IUPAC2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one
SMILESCCCCC1(C(C)C)N=C(N)N(C)C1=O
InChIInChI=1S/C11H21N3O/c1-5-6-7-11(8(2)3)9(15)14(4)10(12)13-11/h8H,5-7H2,1-4H3,(H2,12,13)
InChIKeyRYSLWOVHZXCPCD-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one

2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one (PubChem CID 45072288) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one
PubChem CID45072288
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one
SMILESCCCCC1(C(C)C)N=C(N)N(C)C1=O
InChIInChI=1S/C11H21N3O/c1-5-6-7-11(8(2)3)9(15)14(4)10(12)13-11/h8H,5-7H2,1-4H3,(H2,12,13)
InChIKeyRYSLWOVHZXCPCD-UHFFFAOYSA-N
XLogP1.36
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
CID 11232421
2-amino-4,4-dicyclohexyl-1-methyl-1H-imidazol-5(4H)-one
CID 46225190
2-Imino-5-butyl-5-cyclopropyl-3-methylimidazolidin-4-one
CID 45072289
2-Amino-5-butyl-5-(3-butylcyclohexyl)-3-methylimidazol-4-one
CID 57843898
2-Amino-5-butyl-5-cyclohexyl-3-methylimidazol-4-one
CID 57843973
2-Amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one
CID 57843994
2-[2-Amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]acetonitrile
CID 57844076
2-Amino-5-methyl-3-(3-methylbutyl)-5-(2-methylpropyl)imidazol-4-one
CID 57844229
2-Amino-5-(aminomethyl)-5-(cyclohexylmethyl)-3-methylimidazol-4-one
CID 57844263
2-Amino-5-cyclohexyl-5-(2-cyclohexylethyl)-3-methylimidazol-4-one
CID 57844283
2-Amino-5,5-dibutyl-3-(cyclopropylmethyl)imidazol-4-one
CID 57844473
2-Amino-5,5-dibutyl-3-methylimidazol-4-one
CID 57844497

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one?
The IUPAC name of 2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one (CID 45072288) is 2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one is CCCCC1(C(C)C)N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one?
The InChIKey is RYSLWOVHZXCPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-6-7-11(8(2)3)9(15)14(4)10(12)13-11/h8H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one?
2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one has a molecular weight of 211.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-3-methyl-5-propan-2-ylimidazol-4-one is sourced from PubChem (CID 45072288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).