3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide

C13H28N4O — CID 55158563

IUPAC3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide
SMILESCCN(CC)C1CCN(CC(C)(NC)C(N)=O)C1
InChIInChI=1S/C13H28N4O/c1-5-17(6-2)11-7-8-16(9-11)10-13(3,15-4)12(14)18/h11,15H,5-10H2,1-4H3,(H2,14,18)
InChIKeyGHTTZLGLZLATGK-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds7

About 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide

3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide (PubChem CID 55158563) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide
PubChem CID55158563
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide
SMILESCCN(CC)C1CCN(CC(C)(NC)C(N)=O)C1
InChIInChI=1S/C13H28N4O/c1-5-17(6-2)11-7-8-16(9-11)10-13(3,15-4)12(14)18/h11,15H,5-10H2,1-4H3,(H2,14,18)
InChIKeyGHTTZLGLZLATGK-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63165821
3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid
CID 63165732
2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropanamide
CID 63165424
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165258
2-methyl-2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66371756
ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
CID 113418587
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropanamide
CID 63165428
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal
CID 63165409
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propan-2-ylamino)propanamide
CID 79175461

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide (CID 55158563) is 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide is CCN(CC)C1CCN(CC(C)(NC)C(N)=O)C1.
What is the InChIKey of 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is GHTTZLGLZLATGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-5-17(6-2)11-7-8-16(9-11)10-13(3,15-4)12(14)18/h11,15H,5-10H2,1-4H3,(H2,14,18).
What are the key properties of 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide?
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 55158563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).