2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one

C11H22N2O2 — CID 62942263

IUPAC2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one
SMILESCCC(CC)(CN)C(=O)N1CCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-3-11(4-2,8-12)10(15)13-6-5-9(14)7-13/h9,14H,3-8,12H2,1-2H3
InChIKeyFIHBMIONINCVNN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds4

About 2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one

2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one (PubChem CID 62942263) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one
PubChem CID62942263
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one
SMILESCCC(CC)(CN)C(=O)N1CCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-3-11(4-2,8-12)10(15)13-6-5-9(14)7-13/h9,14H,3-8,12H2,1-2H3
InChIKeyFIHBMIONINCVNN-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-2-propylpentan-1-one
CID 62941721
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one
CID 102956890
2-(aminomethyl)-2-ethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-one
CID 81196545
2-(ethylamino)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 62941929
N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide
CID 115432123
2-amino-2-cyclopropyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62942113
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 102956889
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 62677876
2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one
CID 63164953
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 113308902
2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 107217153

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one (CID 62942263) is 2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one is CCC(CC)(CN)C(=O)N1CCC(O)C1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one?
The InChIKey is FIHBMIONINCVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(4-2,8-12)10(15)13-6-5-9(14)7-13/h9,14H,3-8,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one?
2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 62942263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).