1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one

C11H23N3O2 — CID 115475702

IUPAC1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CC(O)CNC(C)(C)C)C1=O
InChIInChI=1S/C11H23N3O2/c1-11(2,3)12-7-9(15)8-14-6-5-13(4)10(14)16/h9,12,15H,5-8H2,1-4H3
InChIKeyHITWMYRWOFTMSR-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.10
Rot. Bonds4

About 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one

1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one (PubChem CID 115475702) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one
PubChem CID115475702
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CC(O)CNC(C)(C)C)C1=O
InChIInChI=1S/C11H23N3O2/c1-11(2,3)12-7-9(15)8-14-6-5-13(4)10(14)16/h9,12,15H,5-8H2,1-4H3
InChIKeyHITWMYRWOFTMSR-UHFFFAOYSA-N
XLogP0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-(methylamino)propyl]-3-methylimidazolidin-2-one
CID 62492375
1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535
1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one
CID 115475868
1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one
CID 62489952
1-(3-hydroxy-3-methylbutyl)-3-methylimidazolidin-2-one
CID 79361214
1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 115475429
1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione
CID 62928789
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 113317564
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylimidazolidin-2-one
CID 114059412
1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 115475401
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
1-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-3-methylimidazolidin-2-one
CID 62490490

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one (CID 115475702) is 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one is CN1CCN(CC(O)CNC(C)(C)C)C1=O.
What is the InChIKey of 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one?
The InChIKey is HITWMYRWOFTMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,3)12-7-9(15)8-14-6-5-13(4)10(14)16/h9,12,15H,5-8H2,1-4H3.
What are the key properties of 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one?
1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 115475702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).