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1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one

C9H19N3O — CID 116978304

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(C(C)CN)C(=O)N1
InChIInChI=1S/C9H19N3O/c1-6(2)8-5-12(7(3)4-10)9(13)11-8/h6-8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyKBAIRLRZABFJFL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.38
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one

1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one (PubChem CID 116978304) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one
PubChem CID116978304
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(C(C)CN)C(=O)N1
InChIInChI=1S/C9H19N3O/c1-6(2)8-5-12(7(3)4-10)9(13)11-8/h6-8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyKBAIRLRZABFJFL-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one (CID 116978304) is 1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one is CC(C)C1CN(C(C)CN)C(=O)N1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one?
The InChIKey is KBAIRLRZABFJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(2)8-5-12(7(3)4-10)9(13)11-8/h6-8H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one?
1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 116978304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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