3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide

C11H23N3O — CID 79183325

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide
SMILESCCNC(CN1CC(C)C(C)C1)C(N)=O
InChIInChI=1S/C11H23N3O/c1-4-13-10(11(12)15)7-14-5-8(2)9(3)6-14/h8-10,13H,4-7H2,1-3H3,(H2,12,15)
InChIKeyLCXFRZUQACXNAO-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.04
Rot. Bonds5

About 3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide

3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide (PubChem CID 79183325) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide
PubChem CID79183325
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide
SMILESCCNC(CN1CC(C)C(C)C1)C(N)=O
InChIInChI=1S/C11H23N3O/c1-4-13-10(11(12)15)7-14-5-8(2)9(3)6-14/h8-10,13H,4-7H2,1-3H3,(H2,12,15)
InChIKeyLCXFRZUQACXNAO-UHFFFAOYSA-N
XLogP0.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide (CID 79183325) is 3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide is CCNC(CN1CC(C)C(C)C1)C(N)=O.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide?
The InChIKey is LCXFRZUQACXNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-13-10(11(12)15)7-14-5-8(2)9(3)6-14/h8-10,13H,4-7H2,1-3H3,(H2,12,15).
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide?
3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide has a molecular weight of 213.32 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide is sourced from PubChem (CID 79183325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).