1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one

C12H23N3O — CID 116978879

IUPAC1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one
SMILESCC(C)(N)CCN1CC(C2CCC2)NC1=O
InChIInChI=1S/C12H23N3O/c1-12(2,13)6-7-15-8-10(14-11(15)16)9-4-3-5-9/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyIHUYZDSHMSKTDU-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.31
Rot. Bonds4

About 1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one

1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one (PubChem CID 116978879) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one
PubChem CID116978879
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one
SMILESCC(C)(N)CCN1CC(C2CCC2)NC1=O
InChIInChI=1S/C12H23N3O/c1-12(2,13)6-7-15-8-10(14-11(15)16)9-4-3-5-9/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyIHUYZDSHMSKTDU-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one?
The IUPAC name of 1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one (CID 116978879) is 1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one?
The canonical SMILES for 1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one is CC(C)(N)CCN1CC(C2CCC2)NC1=O.
What is the InChIKey of 1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one?
The InChIKey is IHUYZDSHMSKTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,13)6-7-15-8-10(14-11(15)16)9-4-3-5-9/h9-10H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one?
1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-methylbutyl)-4-cyclobutylimidazolidin-2-one is sourced from PubChem (CID 116978879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).