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

C16H33N3O — CID 106053040

IUPAC3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CCCN(C)C(C)C)C1=O
InChIInChI=1S/C16H33N3O/c1-7-9-14-16(20)19(15(17-14)12(2)3)11-8-10-18(6)13(4)5/h12-15,17H,7-11H2,1-6H3
InChIKeyJDYVHTLHNROGSQ-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.30
Rot. Bonds8

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

3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one (PubChem CID 106053040) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one
PubChem CID106053040
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CCCN(C)C(C)C)C1=O
InChIInChI=1S/C16H33N3O/c1-7-9-14-16(20)19(15(17-14)12(2)3)11-8-10-18(6)13(4)5/h12-15,17H,7-11H2,1-6H3
InChIKeyJDYVHTLHNROGSQ-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
The IUPAC name of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one (CID 106053040) is 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one is CCCC1NC(C(C)C)N(CCCN(C)C(C)C)C1=O.
What is the InChIKey of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
The InChIKey is JDYVHTLHNROGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-7-9-14-16(20)19(15(17-14)12(2)3)11-8-10-18(6)13(4)5/h12-15,17H,7-11H2,1-6H3.
What are the key properties of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one has a molecular weight of 283.46 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 106053040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).