1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one

C16H33N3O — CID 22381193

IUPAC1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one
SMILESCCCCNC(CCC)C(CC)CN1C(=O)NCC1C
InChIInChI=1S/C16H33N3O/c1-5-8-10-17-15(9-6-2)14(7-3)12-19-13(4)11-18-16(19)20/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyGGBVBRJAATWTCP-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.98
Rot. Bonds10

About 1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one

1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one (PubChem CID 22381193) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one
PubChem CID22381193
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one
SMILESCCCCNC(CCC)C(CC)CN1C(=O)NCC1C
InChIInChI=1S/C16H33N3O/c1-5-8-10-17-15(9-6-2)14(7-3)12-19-13(4)11-18-16(19)20/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyGGBVBRJAATWTCP-UHFFFAOYSA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
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-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one?
The IUPAC name of 1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one (CID 22381193) is 1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one is CCCCNC(CCC)C(CC)CN1C(=O)NCC1C.
What is the InChIKey of 1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one?
The InChIKey is GGBVBRJAATWTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-8-10-17-15(9-6-2)14(7-3)12-19-13(4)11-18-16(19)20/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of 1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one?
1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one has a molecular weight of 283.46 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one is sourced from PubChem (CID 22381193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).