2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride

C11H22ClN3O — CID 120772051

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NC2CC2)C1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-11(7-12)4-5-14(8-11)6-10(15)13-9-2-3-9;/h9H,2-8,12H2,1H3,(H,13,15);1H
InChIKeyNQYJZWHLZJJRBH-UHFFFAOYSA-N
MW247.77 g/mol
LogP0.36
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride (PubChem CID 120772051) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride
PubChem CID120772051
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NC2CC2)C1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-11(7-12)4-5-14(8-11)6-10(15)13-9-2-3-9;/h9H,2-8,12H2,1H3,(H,13,15);1H
InChIKeyNQYJZWHLZJJRBH-UHFFFAOYSA-N
XLogP0.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopentylacetamide
CID 107160510
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 120771673
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclohexylethyl)acetamide;hydrochloride
CID 120772426
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[cyclohexyl(phenyl)methyl]acetamide;hydrochloride
CID 120773094
3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324715
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 120772641
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;dihydrochloride
CID 120773152
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120773332
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120771662

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride (CID 120772051) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride is CC1(CN)CCN(CC(=O)NC2CC2)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride?
The InChIKey is NQYJZWHLZJJRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.ClH/c1-11(7-12)4-5-14(8-11)6-10(15)13-9-2-3-9;/h9H,2-8,12H2,1H3,(H,13,15);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride is sourced from PubChem (CID 120772051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).