N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide

C13H21N3O — CID 66401192

IUPACN-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCCNCc1cccn1CC(=O)NC1CC1
InChIInChI=1S/C13H21N3O/c1-2-7-14-9-12-4-3-8-16(12)10-13(17)15-11-5-6-11/h3-4,8,11,14H,2,5-7,9-10H2,1H3,(H,15,17)
InChIKeyGBYVFTYXQVIODI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.27
Rot. Bonds7

About N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide

N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66401192) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66401192
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCCNCc1cccn1CC(=O)NC1CC1
InChIInChI=1S/C13H21N3O/c1-2-7-14-9-12-4-3-8-16(12)10-13(17)15-11-5-6-11/h3-4,8,11,14H,2,5-7,9-10H2,1H3,(H,15,17)
InChIKeyGBYVFTYXQVIODI-UHFFFAOYSA-N
XLogP1.27
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.27
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-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
CID 79394241
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66402639
N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66402553
N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
CID 102914268
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
butyl 2-[2-(propylaminomethyl)pyrrol-1-yl]acetate
CID 66402177
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66401026
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66402406
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
CID 66443625
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide (CID 66401192) is N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide is CCCNCc1cccn1CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is GBYVFTYXQVIODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-7-14-9-12-4-3-8-16(12)10-13(17)15-11-5-6-11/h3-4,8,11,14H,2,5-7,9-10H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide?
N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66401192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).