3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide

C13H23N3O — CID 66443625

IUPAC3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1cccn1CC
InChIInChI=1S/C13H23N3O/c1-3-8-15-13(17)7-9-14-11-12-6-5-10-16(12)4-2/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,15,17)
InChIKeyHVTAKFQAUVPCJQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.51
Rot. Bonds8

About 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide

3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide (PubChem CID 66443625) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
PubChem CID66443625
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1cccn1CC
InChIInChI=1S/C13H23N3O/c1-3-8-15-13(17)7-9-14-11-12-6-5-10-16(12)4-2/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,15,17)
InChIKeyHVTAKFQAUVPCJQ-UHFFFAOYSA-N
XLogP1.51
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
CID 66411108
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
CID 66135289
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260
N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
CID 79394241
N-[(1-ethylpyrrol-2-yl)methyl]-2-methylsulfonylethanamine
CID 66411958
3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397923
N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66402553
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401192
N'-[(1-ethylpyrrol-2-yl)methyl]butane-1,4-diamine
CID 66411172
3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide
CID 66443623
N-propyl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103437737

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide (CID 66443625) is 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1cccn1CC.
What is the InChIKey of 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is HVTAKFQAUVPCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-8-15-13(17)7-9-14-11-12-6-5-10-16(12)4-2/h5-6,10,14H,3-4,7-9,11H2,1-2H3,(H,15,17).
What are the key properties of 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide?
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 237.35 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 66443625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).