3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide

C11H24N4O — CID 81468825

IUPAC3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide
SMILESCC1CC(NCCN(C)C)(C(N)=O)CN1C
InChIInChI=1S/C11H24N4O/c1-9-7-11(10(12)16,8-15(9)4)13-5-6-14(2)3/h9,13H,5-8H2,1-4H3,(H2,12,16)
InChIKeyCFEMCGWTKLAXSE-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.91
Rot. Bonds5

About 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide

3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide (PubChem CID 81468825) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide
PubChem CID81468825
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide
SMILESCC1CC(NCCN(C)C)(C(N)=O)CN1C
InChIInChI=1S/C11H24N4O/c1-9-7-11(10(12)16,8-15(9)4)13-5-6-14(2)3/h9,13H,5-8H2,1-4H3,(H2,12,16)
InChIKeyCFEMCGWTKLAXSE-UHFFFAOYSA-N
XLogP-0.91
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide (CID 81468825) is 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide is CC1CC(NCCN(C)C)(C(N)=O)CN1C.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide?
The InChIKey is CFEMCGWTKLAXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9-7-11(10(12)16,8-15(9)4)13-5-6-14(2)3/h9,13H,5-8H2,1-4H3,(H2,12,16).
What are the key properties of 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide?
3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81468825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).