3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

C11H23N3O — CID 109013258

IUPAC3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCN(C)CCNCCC(=O)N1CCCC1
InChIInChI=1S/C11H23N3O/c1-13(2)10-7-12-6-5-11(15)14-8-3-4-9-14/h12H,3-10H2,1-2H3
InChIKeyNFRCVGLBVSWDCJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.15
Rot. Bonds6

About 3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 109013258) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID109013258
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCN(C)CCNCCC(=O)N1CCCC1
InChIInChI=1S/C11H23N3O/c1-13(2)10-7-12-6-5-11(15)14-8-3-4-9-14/h12H,3-10H2,1-2H3
InChIKeyNFRCVGLBVSWDCJ-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 113411347
3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
CID 137454148
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(dimethylamino)ethylamino]propan-1-one
CID 109016367
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467
3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115647680
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
1-[3-(dimethylsulfamoylamino)propanoyl]piperidine
CID 47305171
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62655429

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 109013258) is 3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is CN(C)CCNCCC(=O)N1CCCC1.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NFRCVGLBVSWDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13(2)10-7-12-6-5-11(15)14-8-3-4-9-14/h12H,3-10H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 213.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 109013258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).