3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one

C15H31N3O — CID 83247971

IUPAC3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CCCCN(C)C(C)C
InChIInChI=1S/C15H31N3O/c1-12(2)10-14-16-11-15(19)18(14)9-7-6-8-17(5)13(3)4/h12-14,16H,6-11H2,1-5H3
InChIKeyNOMVUMRQFNBYQD-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.91
Rot. Bonds8

About 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one

3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83247971) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one
PubChem CID83247971
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1CCCCN(C)C(C)C
InChIInChI=1S/C15H31N3O/c1-12(2)10-14-16-11-15(19)18(14)9-7-6-8-17(5)13(3)4/h12-14,16H,6-11H2,1-5H3
InChIKeyNOMVUMRQFNBYQD-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83250663
3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83247467
6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 106053090
3-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83260485
3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 106053056
2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid
CID 62302379
2-methyl-3-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 106053028
3-[2-(dimethylamino)ethyl]-2-ethylimidazolidin-4-one
CID 83250414
3-butyl-2-ethylimidazolidin-4-one
CID 83238160
3-(dicyclopropylmethyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83253006
5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one
CID 83248231
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-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one (CID 83247971) is 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NCC(=O)N1CCCCN(C)C(C)C.
What is the InChIKey of 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is NOMVUMRQFNBYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)10-14-16-11-15(19)18(14)9-7-6-8-17(5)13(3)4/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one?
3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 269.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83247971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).