1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one

C12H24N4O — CID 116981471

IUPAC1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
SMILESCN1CCC(C2CN(CCCN)C(=O)N2C)C1
InChIInChI=1S/C12H24N4O/c1-14-7-4-10(8-14)11-9-16(6-3-5-13)12(17)15(11)2/h10-11H,3-9,13H2,1-2H3
InChIKeyJOJYQNHUEYKFIN-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.02
Rot. Bonds4

About 1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one

1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one (PubChem CID 116981471) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
PubChem CID116981471
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
SMILESCN1CCC(C2CN(CCCN)C(=O)N2C)C1
InChIInChI=1S/C12H24N4O/c1-14-7-4-10(8-14)11-9-16(6-3-5-13)12(17)15(11)2/h10-11H,3-9,13H2,1-2H3
InChIKeyJOJYQNHUEYKFIN-UHFFFAOYSA-N
XLogP0.02
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one (CID 116981471) is 1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one is CN1CCC(C2CN(CCCN)C(=O)N2C)C1.
What is the InChIKey of 1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
The InChIKey is JOJYQNHUEYKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-14-7-4-10(8-14)11-9-16(6-3-5-13)12(17)15(11)2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one is sourced from PubChem (CID 116981471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).