1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one

C9H19N3O — CID 83530385

IUPAC1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(CCN)C(=O)N1C
InChIInChI=1S/C9H19N3O/c1-7(2)8-6-12(5-4-10)9(13)11(8)3/h7-8H,4-6,10H2,1-3H3
InChIKeyWJFOATCNYQFFLE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.34
Rot. Bonds3

About 1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one

1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 83530385) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
PubChem CID83530385
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(CCN)C(=O)N1C
InChIInChI=1S/C9H19N3O/c1-7(2)8-6-12(5-4-10)9(13)11(8)3/h7-8H,4-6,10H2,1-3H3
InChIKeyWJFOATCNYQFFLE-UHFFFAOYSA-N
XLogP0.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one (CID 83530385) is 1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one is CC(C)C1CN(CCN)C(=O)N1C.
What is the InChIKey of 1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The InChIKey is WJFOATCNYQFFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)8-6-12(5-4-10)9(13)11(8)3/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 83530385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).