1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one

C9H18N2O — CID 174564313

IUPAC1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one
SMILESCC1CC(C)(C)C(=O)N1CCN
InChIInChI=1S/C9H18N2O/c1-7-6-9(2,3)8(12)11(7)5-4-10/h7H,4-6,10H2,1-3H3
InChIKeyBIPURESMFVZVNE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds2

About 1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one

1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one (PubChem CID 174564313) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one
PubChem CID174564313
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one
SMILESCC1CC(C)(C)C(=O)N1CCN
InChIInChI=1S/C9H18N2O/c1-7-6-9(2,3)8(12)11(7)5-4-10/h7H,4-6,10H2,1-3H3
InChIKeyBIPURESMFVZVNE-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one?
The IUPAC name of 1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one (CID 174564313) is 1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one is CC1CC(C)(C)C(=O)N1CCN.
What is the InChIKey of 1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one?
The InChIKey is BIPURESMFVZVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-6-9(2,3)8(12)11(7)5-4-10/h7H,4-6,10H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one?
1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 174564313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).