3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one

C14H29N3O — CID 83236693

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(C)N(CC(C)(C)CN(C)C)C1=O
InChIInChI=1S/C14H29N3O/c1-10(2)12-13(18)17(11(3)15-12)9-14(4,5)8-16(6)7/h10-12,15H,8-9H2,1-7H3
InChIKeyXGTMVNJQUQWFHL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.38
Rot. Bonds5

About 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one

3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one (PubChem CID 83236693) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one
PubChem CID83236693
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(C)N(CC(C)(C)CN(C)C)C1=O
InChIInChI=1S/C14H29N3O/c1-10(2)12-13(18)17(11(3)15-12)9-14(4,5)8-16(6)7/h10-12,15H,8-9H2,1-7H3
InChIKeyXGTMVNJQUQWFHL-UHFFFAOYSA-N
XLogP1.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one
CID 114102628
3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83236927
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83237333
3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one
CID 83236696
3-(2,2-dimethylpropyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83256296
3-decyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83270397
3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2,5-dimethylimidazolidin-4-one
CID 83237947
2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one
CID 114102621
3-(2,2-dimethylpropyl)-2,5-dimethylimidazolidin-4-one
CID 83256720
2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256490
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
3-[4-(dimethylamino)butyl]-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83246406

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one (CID 83236693) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one is CC(C)C1NC(C)N(CC(C)(C)CN(C)C)C1=O.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is XGTMVNJQUQWFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)12-13(18)17(11(3)15-12)9-14(4,5)8-16(6)7/h10-12,15H,8-9H2,1-7H3.
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 255.41 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83236693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).