3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one

C14H29N3O — CID 83248232

IUPAC3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one
SMILESCCCC1NCN(CCCCN(C)C(C)C)C1=O
InChIInChI=1S/C14H29N3O/c1-5-8-13-14(18)17(11-15-13)10-7-6-9-16(4)12(2)3/h12-13,15H,5-11H2,1-4H3
InChIKeyJAAPWGWISYUPHC-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.66
Rot. Bonds8

About 3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one

3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one (PubChem CID 83248232) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one
PubChem CID83248232
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one
SMILESCCCC1NCN(CCCCN(C)C(C)C)C1=O
InChIInChI=1S/C14H29N3O/c1-5-8-13-14(18)17(11-15-13)10-7-6-9-16(4)12(2)3/h12-13,15H,5-11H2,1-4H3
InChIKeyJAAPWGWISYUPHC-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.66
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]-5-propylimidazolidin-4-one
CID 83251427
3-(3-ethoxypropyl)-5-propylimidazolidin-4-one
CID 83237865
5-butyl-3-decylimidazolidin-4-one
CID 83270318
5-butyl-3-(4-methylpentyl)imidazolidin-4-one
CID 83257839
3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one
CID 114923850
3-(2-methylbutyl)-5-propylimidazolidin-4-one
CID 83253599
3-[3-[methyl(propan-2-yl)amino]propyl]-2,5-dipropylimidazolidin-4-one
CID 106053081
3-[2-[di(propan-2-yl)amino]ethyl]-5-ethylimidazolidin-4-one
CID 83237576
3-butyl-5-ethylimidazolidin-4-one
CID 83238020
5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83247648
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 106053040
3-[2-(dimethylamino)ethyl]-5-ethylimidazolidin-4-one
CID 83251000

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one?
The IUPAC name of 3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one (CID 83248232) is 3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one?
The canonical SMILES for 3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one is CCCC1NCN(CCCCN(C)C(C)C)C1=O.
What is the InChIKey of 3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one?
The InChIKey is JAAPWGWISYUPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-8-13-14(18)17(11-15-13)10-7-6-9-16(4)12(2)3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one?
3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one has a molecular weight of 255.41 g/mol, XLogP of 1.66, 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]-5-propylimidazolidin-4-one is sourced from PubChem (CID 83248232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).