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

C14H29N3O — CID 83250264

IUPAC5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
SMILESCCC(C)C1NC(C)N(C(C)CCN(C)C)C1=O
InChIInChI=1S/C14H29N3O/c1-7-10(2)13-14(18)17(12(4)15-13)11(3)8-9-16(5)6/h10-13,15H,7-9H2,1-6H3
InChIKeyLWHXNDZJQVTKJH-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.52
Rot. Bonds6

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

5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one (PubChem CID 83250264) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
PubChem CID83250264
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
SMILESCCC(C)C1NC(C)N(C(C)CCN(C)C)C1=O
InChIInChI=1S/C14H29N3O/c1-7-10(2)13-14(18)17(12(4)15-13)11(3)8-9-16(5)6/h10-13,15H,7-9H2,1-6H3
InChIKeyLWHXNDZJQVTKJH-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-butan-2-yl-2-methyl-3-(6-methylheptan-2-yl)imidazolidin-4-one
CID 83252330
5-butan-2-yl-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylimidazolidin-4-one
CID 83249576
5-butan-2-yl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83253008
1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64966679
5-butan-2-yl-3-[1-(dimethylamino)propan-2-yl]-2-ethylimidazolidin-4-one
CID 83260616
3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83249108
2-methyl-3-(6-methylheptan-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83252163
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264562
5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
CID 83239751
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propylimidazolidin-4-one
CID 83263112
5-butan-2-yl-2-ethyl-3-octan-2-ylimidazolidin-4-one
CID 83248188
5-butan-2-yl-3-[2-(dimethylamino)ethyl]-2-propylimidazolidin-4-one
CID 83250833

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one (CID 83250264) is 5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one is CCC(C)C1NC(C)N(C(C)CCN(C)C)C1=O.
What is the InChIKey of 5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one?
The InChIKey is LWHXNDZJQVTKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-7-10(2)13-14(18)17(12(4)15-13)11(3)8-9-16(5)6/h10-13,15H,7-9H2,1-6H3.
What are the key properties of 5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one?
5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-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 5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one is sourced from PubChem (CID 83250264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).