1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone

C8H16N2O — CID 102783447

IUPAC1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C)C1CN
InChIInChI=1S/C8H16N2O/c1-6-3-4-10(7(2)11)8(6)5-9/h6,8H,3-5,9H2,1-2H3
InChIKeyLFQHZXMYPYLHLU-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.20
Rot. Bonds1

About 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone

1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone (PubChem CID 102783447) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
PubChem CID102783447
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C)C1CN
InChIInChI=1S/C8H16N2O/c1-6-3-4-10(7(2)11)8(6)5-9/h6,8H,3-5,9H2,1-2H3
InChIKeyLFQHZXMYPYLHLU-UHFFFAOYSA-N
XLogP0.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787949
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 102783695
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
CID 102783465
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 102783565
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 102783553
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102783511
N-(1-adamantyl)-2-(aminomethyl)-3-methylpyrrolidine-1-carboxamide
CID 102783640
2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
CID 102783638
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 102783559
(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-cyclopentylethanone
CID 95357695

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone (CID 102783447) is 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone is CC(=O)N1CCC(C)C1CN.
What is the InChIKey of 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone?
The InChIKey is LFQHZXMYPYLHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-3-4-10(7(2)11)8(6)5-9/h6,8H,3-5,9H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone?
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone has a molecular weight of 156.23 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102783447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).