1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one

C10H21N3O — CID 62490656

IUPAC1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one
SMILESCCCNCCCN1CCN(C)C1=O
InChIInChI=1S/C10H21N3O/c1-3-5-11-6-4-7-13-9-8-12(2)10(13)14/h11H,3-9H2,1-2H3
InChIKeyYFZAFUZITZNSGB-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.74
Rot. Bonds6

About 1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one

1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one (PubChem CID 62490656) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one
PubChem CID62490656
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one
SMILESCCCNCCCN1CCN(C)C1=O
InChIInChI=1S/C10H21N3O/c1-3-5-11-6-4-7-13-9-8-12(2)10(13)14/h11H,3-9H2,1-2H3
InChIKeyYFZAFUZITZNSGB-UHFFFAOYSA-N
XLogP0.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one (CID 62490656) is 1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one is CCCNCCCN1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one?
The InChIKey is YFZAFUZITZNSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-5-11-6-4-7-13-9-8-12(2)10(13)14/h11H,3-9H2,1-2H3.
What are the key properties of 1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one?
1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one has a molecular weight of 199.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one is sourced from PubChem (CID 62490656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).