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

C10H21N3O — CID 165469087

IUPAC1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCCC1(C)CN
InChIInChI=1S/C10H21N3O/c1-10(8-11)5-4-6-13(10)9(14)7-12(2)3/h4-8,11H2,1-3H3
InChIKeyXPVCEWJDHLYKQM-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds3

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

1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 165469087) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
PubChem CID165469087
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCCC1(C)CN
InChIInChI=1S/C10H21N3O/c1-10(8-11)5-4-6-13(10)9(14)7-12(2)3/h4-8,11H2,1-3H3
InChIKeyXPVCEWJDHLYKQM-UHFFFAOYSA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 115270563
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 115270562
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 115270531
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 115266988
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 115270557
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 115270597
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 115270508
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 115270582
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 115270537
2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 131129467
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 115270742
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
CID 115270787

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone (CID 165469087) is 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCCC1(C)CN.
What is the InChIKey of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is XPVCEWJDHLYKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(8-11)5-4-6-13(10)9(14)7-12(2)3/h4-8,11H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone?
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 199.30 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 165469087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).