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

C14H29N3O — CID 83236696

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C)C(=O)N1CC(C)(C)CN(C)C
InChIInChI=1S/C14H29N3O/c1-7-8-12-15-11(2)13(18)17(12)10-14(3,4)9-16(5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyNNSKMJCLQPQKAR-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.52
Rot. Bonds6

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

3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one (PubChem CID 83236696) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one
PubChem CID83236696
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C)C(=O)N1CC(C)(C)CN(C)C
InChIInChI=1S/C14H29N3O/c1-7-8-12-15-11(2)13(18)17(12)10-14(3,4)9-16(5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyNNSKMJCLQPQKAR-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2,3-dipropylimidazolidin-4-one
CID 83242080
3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2,5-dimethylimidazolidin-4-one
CID 83237947
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]-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83236693
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-propylimidazolidin-4-one
CID 114517126
5-methyl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767695
3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one
CID 83246899
5-methyl-2-propyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327052
5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 114944867
5-methyl-3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247451
5-butyl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767723

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one (CID 83236696) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one is CCCC1NC(C)C(=O)N1CC(C)(C)CN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one?
The InChIKey is NNSKMJCLQPQKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-7-8-12-15-11(2)13(18)17(12)10-14(3,4)9-16(5)6/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methyl-2-propylimidazolidin-4-one has a molecular weight of 255.41 g/mol, XLogP of 1.52, 6 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]-5-methyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83236696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).