2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C13H25N3O — CID 103576641

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CC(C)C(N)C1
InChIInChI=1S/C13H25N3O/c1-5-16(6-10(2)3)13(17)9-15-7-11(4)12(14)8-15/h11-12H,2,5-9,14H2,1,3-4H3
InChIKeyIKBSPDKITXGXKA-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.69
Rot. Bonds5

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 103576641) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID103576641
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CC(C)C(N)C1
InChIInChI=1S/C13H25N3O/c1-5-16(6-10(2)3)13(17)9-15-7-11(4)12(14)8-15/h11-12H,2,5-9,14H2,1,3-4H3
InChIKeyIKBSPDKITXGXKA-UHFFFAOYSA-N
XLogP0.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 103576641) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN1CC(C)C(N)C1.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is IKBSPDKITXGXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-16(6-10(2)3)13(17)9-15-7-11(4)12(14)8-15/h11-12H,2,5-9,14H2,1,3-4H3.
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 103576641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).