2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one

C13H26N2O — CID 115739383

IUPAC2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
SMILESCCCC1CCN(C(=O)C(C)(N)CCC)C1
InChIInChI=1S/C13H26N2O/c1-4-6-11-7-9-15(10-11)12(16)13(3,14)8-5-2/h11H,4-10,14H2,1-3H3
InChIKeyMAABNDOALVFEFK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds5

About 2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one

2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one (PubChem CID 115739383) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
PubChem CID115739383
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
SMILESCCCC1CCN(C(=O)C(C)(N)CCC)C1
InChIInChI=1S/C13H26N2O/c1-4-6-11-7-9-15(10-11)12(16)13(3,14)8-5-2/h11H,4-10,14H2,1-3H3
InChIKeyMAABNDOALVFEFK-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 113357324
2-bromo-2-methyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 114329107
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 60848400
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
2,2,3,3,3-pentafluoro-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 114038248
2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64604208
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpentan-1-one
CID 63634380
2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid
CID 79811148
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519
2-amino-2-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 60848917

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one (CID 115739383) is 2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one is CCCC1CCN(C(=O)C(C)(N)CCC)C1.
What is the InChIKey of 2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is MAABNDOALVFEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-11-7-9-15(10-11)12(16)13(3,14)8-5-2/h11H,4-10,14H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one?
2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 115739383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).