2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide

C13H25N3O — CID 54927639

IUPAC2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CCN(CC)C1
InChIInChI=1S/C13H25N3O/c1-4-7-14-13(17)11(3)15-9-12-6-8-16(5-2)10-12/h4,11-12,15H,1,5-10H2,2-3H3,(H,14,17)
InChIKeyOZPSMEVFIZERLV-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.61
Rot. Bonds7

About 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide (PubChem CID 54927639) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
PubChem CID54927639
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC1CCN(CC)C1
InChIInChI=1S/C13H25N3O/c1-4-7-14-13(17)11(3)15-9-12-6-8-16(5-2)10-12/h4,11-12,15H,1,5-10H2,2-3H3,(H,14,17)
InChIKeyOZPSMEVFIZERLV-UHFFFAOYSA-N
XLogP0.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide
CID 54927684
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
CID 54927399
2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
CID 43216208
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
3-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 62851851
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629745
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
CID 60854910
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 43086819
1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
CID 110982009
1-cyclopropyl-N-[(1-ethylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64920141

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide (CID 54927639) is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCC1CCN(CC)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide?
The InChIKey is OZPSMEVFIZERLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-7-14-13(17)11(3)15-9-12-6-8-16(5-2)10-12/h4,11-12,15H,1,5-10H2,2-3H3,(H,14,17).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide?
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 54927639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).