4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one

C11H23N3O — CID 117022056

IUPAC4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one
SMILESCC1C(CN)CC(=O)N1CCCN(C)C
InChIInChI=1S/C11H23N3O/c1-9-10(8-12)7-11(15)14(9)6-4-5-13(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyXSAOYFZXTAYQLV-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.13
Rot. Bonds5

About 4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one

4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one (PubChem CID 117022056) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one
PubChem CID117022056
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one
SMILESCC1C(CN)CC(=O)N1CCCN(C)C
InChIInChI=1S/C11H23N3O/c1-9-10(8-12)7-11(15)14(9)6-4-5-13(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyXSAOYFZXTAYQLV-UHFFFAOYSA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 117022577
1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
CID 64960175
4-(hydroxymethyl)-5-methyl-1-propylpyrrolidin-2-one
CID 117021849
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
3-cyclopropyl-1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
CID 64960096
5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one
CID 79355239
CID 59582090
CID 59582090
1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione
CID 142676515
2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid
CID 62302379
4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one
CID 117022081
3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine
CID 83831660
3-[3-(dimethylamino)propyl]-1,3-oxazolidine-2,4-dione
CID 23622650

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one (CID 117022056) is 4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one is CC1C(CN)CC(=O)N1CCCN(C)C.
What is the InChIKey of 4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one?
The InChIKey is XSAOYFZXTAYQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-10(8-12)7-11(15)14(9)6-4-5-13(2)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one?
4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[3-(dimethylamino)propyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 117022056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).