1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one

C12H21N3O — CID 80579231

IUPAC1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one
SMILESCC(C)(CN)CCn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H21N3O/c1-12(2,9-13)5-6-14-7-8-15(11(14)16)10-3-4-10/h7-8,10H,3-6,9,13H2,1-2H3
InChIKeySTWWSUWNRCAMDP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.36
Rot. Bonds5

About 1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one

1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one (PubChem CID 80579231) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one
PubChem CID80579231
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one
SMILESCC(C)(CN)CCn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H21N3O/c1-12(2,9-13)5-6-14-7-8-15(11(14)16)10-3-4-10/h7-8,10H,3-6,9,13H2,1-2H3
InChIKeySTWWSUWNRCAMDP-UHFFFAOYSA-N
XLogP1.36
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one (CID 80579231) is 1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one is CC(C)(CN)CCn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one?
The InChIKey is STWWSUWNRCAMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,9-13)5-6-14-7-8-15(11(14)16)10-3-4-10/h7-8,10H,3-6,9,13H2,1-2H3.
What are the key properties of 1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one?
1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylbutyl)-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).