3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one

C13H25N3O2 — CID 116981500

IUPAC3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one
SMILESCNCCCN1CC(C2CCOCC2)N(C)C1=O
InChIInChI=1S/C13H25N3O2/c1-14-6-3-7-16-10-12(15(2)13(16)17)11-4-8-18-9-5-11/h11-12,14H,3-10H2,1-2H3
InChIKeyXSSHQKPNKGGUPM-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.76
Rot. Bonds5

About 3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one

3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one (PubChem CID 116981500) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one
PubChem CID116981500
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one
SMILESCNCCCN1CC(C2CCOCC2)N(C)C1=O
InChIInChI=1S/C13H25N3O2/c1-14-6-3-7-16-10-12(15(2)13(16)17)11-4-8-18-9-5-11/h11-12,14H,3-10H2,1-2H3
InChIKeyXSSHQKPNKGGUPM-UHFFFAOYSA-N
XLogP0.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.76
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

methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate
CID 116982587
1,3-dimethyl-4-(oxan-4-yl)imidazolidin-2-one
CID 116982982
3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982267
1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 116981471
3-methyl-1-[3-(methylamino)propyl]-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116981486
methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982611
4-cyclobutyl-3-methyl-1-(morpholin-3-ylmethyl)imidazolidin-2-one
CID 116982801
4-cyclopentyl-3-methyl-1-(morpholin-3-ylmethyl)imidazolidin-2-one
CID 116982800
3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
CID 61350941
4-ethyl-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116981220
3-[3-(methylamino)propyl]-1,3-oxazinan-2-one
CID 61349236
1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116981965

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one?
The IUPAC name of 3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one (CID 116981500) is 3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one.
What is the SMILES notation for 3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one?
The canonical SMILES for 3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one is CNCCCN1CC(C2CCOCC2)N(C)C1=O.
What is the InChIKey of 3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one?
The InChIKey is XSSHQKPNKGGUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-14-6-3-7-16-10-12(15(2)13(16)17)11-4-8-18-9-5-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one?
3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one is sourced from PubChem (CID 116981500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).