3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one

C11H23N3O — CID 83237515

IUPAC3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)CNC1C
InChIInChI=1S/C11H23N3O/c1-4-13(5-2)7-6-8-14-10(3)12-9-11(14)15/h10,12H,4-9H2,1-3H3
InChIKeyKMKJUTAQAPZXDF-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.50
Rot. Bonds6

About 3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one

3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one (PubChem CID 83237515) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one
PubChem CID83237515
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)CNC1C
InChIInChI=1S/C11H23N3O/c1-4-13(5-2)7-6-8-14-10(3)12-9-11(14)15/h10,12H,4-9H2,1-3H3
InChIKeyKMKJUTAQAPZXDF-UHFFFAOYSA-N
XLogP0.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one?
The IUPAC name of 3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one (CID 83237515) is 3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one?
The canonical SMILES for 3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one is CCN(CC)CCCN1C(=O)CNC1C.
What is the InChIKey of 3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one?
The InChIKey is KMKJUTAQAPZXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-13(5-2)7-6-8-14-10(3)12-9-11(14)15/h10,12H,4-9H2,1-3H3.
What are the key properties of 3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one?
3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one has a molecular weight of 213.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one is sourced from PubChem (CID 83237515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).