2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one

C10H21N3O — CID 105452385

IUPAC2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one
SMILESCC(C)(C)C1(C)CC(=O)N(CCN)N1
InChIInChI=1S/C10H21N3O/c1-9(2,3)10(4)7-8(14)13(12-10)6-5-11/h12H,5-7,11H2,1-4H3
InChIKeyJTWRBVOGUSVDPY-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.49
Rot. Bonds2

About 2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one

2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one (PubChem CID 105452385) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one
PubChem CID105452385
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one
SMILESCC(C)(C)C1(C)CC(=O)N(CCN)N1
InChIInChI=1S/C10H21N3O/c1-9(2,3)10(4)7-8(14)13(12-10)6-5-11/h12H,5-7,11H2,1-4H3
InChIKeyJTWRBVOGUSVDPY-UHFFFAOYSA-N
XLogP0.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105466148
2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one
CID 105466236
2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one
CID 105452383
1-(2-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-one
CID 82505874
1-[1-(2-aminoethyl)piperidin-4-yl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65298175
5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one
CID 105451622
2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one
CID 105434817
3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione
CID 82147925
1-(2-aminoethyl)-3,3,5-trimethylpyrrolidin-2-one
CID 174564313
2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde
CID 105440082
4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
CID 63596626
2-(2-aminoethyl)-1-methyldiazinan-3-one
CID 105430708

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one?
The IUPAC name of 2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one (CID 105452385) is 2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one is CC(C)(C)C1(C)CC(=O)N(CCN)N1.
What is the InChIKey of 2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one?
The InChIKey is JTWRBVOGUSVDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(2,3)10(4)7-8(14)13(12-10)6-5-11/h12H,5-7,11H2,1-4H3.
What are the key properties of 2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one?
2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one has a molecular weight of 199.30 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one is sourced from PubChem (CID 105452385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).