5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one

C14H29N3O — CID 83248231

IUPAC5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one
SMILESCCC1NC(C)N(CCCCN(C)C(C)C)C1=O
InChIInChI=1S/C14H29N3O/c1-6-13-14(18)17(12(4)15-13)10-8-7-9-16(5)11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyIFDRKWDMZYKPQV-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.66
Rot. Bonds7

About 5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one

5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one (PubChem CID 83248231) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one
PubChem CID83248231
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one
SMILESCCC1NC(C)N(CCCCN(C)C(C)C)C1=O
InChIInChI=1S/C14H29N3O/c1-6-13-14(18)17(12(4)15-13)10-8-7-9-16(5)11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyIFDRKWDMZYKPQV-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one (CID 83248231) is 5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one is CCC1NC(C)N(CCCCN(C)C(C)C)C1=O.
What is the InChIKey of 5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one?
The InChIKey is IFDRKWDMZYKPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-13-14(18)17(12(4)15-13)10-8-7-9-16(5)11(2)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one?
5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one has a molecular weight of 255.41 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]imidazolidin-4-one is sourced from PubChem (CID 83248231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).