1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one

C11H19N3O — CID 80581848

IUPAC1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one
SMILESCC(C)C(N)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)10(12)7-13-5-6-14(11(13)15)9-3-4-9/h5-6,8-10H,3-4,7,12H2,1-2H3
InChIKeyQGNHBKSKIZFLOT-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.97
Rot. Bonds4

About 1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one

1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one (PubChem CID 80581848) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one
PubChem CID80581848
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one
SMILESCC(C)C(N)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)10(12)7-13-5-6-14(11(13)15)9-3-4-9/h5-6,8-10H,3-4,7,12H2,1-2H3
InChIKeyQGNHBKSKIZFLOT-UHFFFAOYSA-N
XLogP0.97
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Amino-3,3-dimethylbutyl)-3-propan-2-ylimidazol-2-one
CID 80579230
1-(4-Amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one
CID 80579231
1-(5-Aminopentyl)-3-cyclopropylimidazol-2-one
CID 80579276
1-(4-Aminobutyl)-3-propan-2-ylimidazol-2-one
CID 80579323
1-(4-Aminobutyl)-3-cyclopropylimidazol-2-one
CID 80579329
1-(2-Aminoethyl)-3-cyclopropylimidazol-2-one
CID 80579399
1-(3-Amino-2-methylpropyl)-3-propan-2-ylimidazol-2-one
CID 80579448
1-(3-Amino-2-methylpropyl)-3-cyclopropylimidazol-2-one
CID 80579452
1-[[1-(2-Aminoethyl)cyclopropyl]methyl]-3-propan-2-ylimidazol-2-one
CID 80579638
1-Ethyl-3-[3-methyl-2-(propylamino)pentyl]imidazol-2-one
CID 80580230
1-[2-(Ethylamino)propyl]-3-methylimidazol-2-one
CID 80580236
1-(2-Aminobutyl)-3-ethylimidazol-2-one
CID 80580262

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one (CID 80581848) is 1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one is CC(C)C(N)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one?
The InChIKey is QGNHBKSKIZFLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10(12)7-13-5-6-14(11(13)15)9-3-4-9/h5-6,8-10H,3-4,7,12H2,1-2H3.
What are the key properties of 1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one?
1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylbutyl)-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80581848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).