2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one

C10H21N3O — CID 105452383

IUPAC2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one
SMILESCCC1(C)CC(=O)N(CCC(C)N)N1
InChIInChI=1S/C10H21N3O/c1-4-10(3)7-9(14)13(12-10)6-5-8(2)11/h8,12H,4-7,11H2,1-3H3
InChIKeyXIDIHPZGYDLXNN-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.63
Rot. Bonds4

About 2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one

2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one (PubChem CID 105452383) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one
PubChem CID105452383
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one
SMILESCCC1(C)CC(=O)N(CCC(C)N)N1
InChIInChI=1S/C10H21N3O/c1-4-10(3)7-9(14)13(12-10)6-5-8(2)11/h8,12H,4-7,11H2,1-3H3
InChIKeyXIDIHPZGYDLXNN-UHFFFAOYSA-N
XLogP0.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one
CID 105451622
2-(2-aminopropyl)-5,5-dimethylpyrazolidin-3-one
CID 105434817
1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione
CID 63251727
2-(2-aminopropyl)-1,2-diazaspiro[4.5]decan-3-one
CID 105465244
4-(3-aminobutyl)morpholine-3,5-dione
CID 61314093
2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one
CID 105452385
2-(3-aminobutyl)-1-ethyldiazinan-3-one
CID 105452412
1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione
CID 79937575
4-(4,4-diethylpiperidin-1-yl)butan-2-amine
CID 63160822
4-ethyl-1,4-dimethylpiperidine-2,6-dione
CID 544425
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one
CID 116981578

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one?
The IUPAC name of 2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one (CID 105452383) is 2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one.
What is the SMILES notation for 2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one?
The canonical SMILES for 2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one is CCC1(C)CC(=O)N(CCC(C)N)N1.
What is the InChIKey of 2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one?
The InChIKey is XIDIHPZGYDLXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-10(3)7-9(14)13(12-10)6-5-8(2)11/h8,12H,4-7,11H2,1-3H3.
What are the key properties of 2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one?
2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one has a molecular weight of 199.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one is sourced from PubChem (CID 105452383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).