5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one

C9H19N3O — CID 60726501

IUPAC5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
SMILESCN(C)CCNCC1CCC(=O)N1
InChIInChI=1S/C9H19N3O/c1-12(2)6-5-10-7-8-3-4-9(13)11-8/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyPEBGCOJUVJUQQT-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.58
Rot. Bonds5

About 5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one

5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one (PubChem CID 60726501) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
PubChem CID60726501
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
SMILESCN(C)CCNCC1CCC(=O)N1
InChIInChI=1S/C9H19N3O/c1-12(2)6-5-10-7-8-3-4-9(13)11-8/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyPEBGCOJUVJUQQT-UHFFFAOYSA-N
XLogP-0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
CID 107529437
1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea
CID 107529858
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
CID 104807003
3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
CID 107530049
2,2-dimethyl-4-[(5-oxopyrrolidin-2-yl)methylamino]butanenitrile
CID 65253327
5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963
5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
CID 60727737
5-[(2-prop-2-enylsulfanylethylamino)methyl]pyrrolidin-2-one
CID 106427567

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one (CID 60726501) is 5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one is CN(C)CCNCC1CCC(=O)N1.
What is the InChIKey of 5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is PEBGCOJUVJUQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(2)6-5-10-7-8-3-4-9(13)11-8/h8,10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one?
5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 60726501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).