5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one

C14H29N3O — CID 83239751

IUPAC5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CCN(CC)CC)C1=O
InChIInChI=1S/C14H29N3O/c1-6-11(4)13-14(18)17(12(5)15-13)10-9-16(7-2)8-3/h11-13,15H,6-10H2,1-5H3
InChIKeyCTLPAZGEMHTDGF-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.52
Rot. Bonds7

About 5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one

5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one (PubChem CID 83239751) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
PubChem CID83239751
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CCN(CC)CC)C1=O
InChIInChI=1S/C14H29N3O/c1-6-11(4)13-14(18)17(12(5)15-13)10-9-16(7-2)8-3/h11-13,15H,6-10H2,1-5H3
InChIKeyCTLPAZGEMHTDGF-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253941
5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259869
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250695
5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264986
5-butan-2-yl-3-[2-(diethylamino)ethyl]imidazolidin-4-one
CID 83239659
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylcyclopropyl)methyl]imidazolidin-4-one
CID 114115041
5-butan-2-yl-3-[2-(dimethylamino)ethyl]-2-propylimidazolidin-4-one
CID 83250833
5-butan-2-yl-2-cyclopentyl-3-[2-(dimethylamino)ethyl]imidazolidin-4-one
CID 83250489
5-butan-2-yl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylimidazolidin-4-one
CID 83253763
5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one
CID 83249576
5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83250264

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one (CID 83239751) is 5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one is CCC(C)C1NC(C)N(CCN(CC)CC)C1=O.
What is the InChIKey of 5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one?
The InChIKey is CTLPAZGEMHTDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-11(4)13-14(18)17(12(5)15-13)10-9-16(7-2)8-3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one?
5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one has a molecular weight of 255.41 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one is sourced from PubChem (CID 83239751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).