2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide

C13H21N3O — CID 79104875

IUPAC2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCCC(N)c1ccn(CC(=O)NCC2CC2)c1
InChIInChI=1S/C13H21N3O/c1-2-12(14)11-5-6-16(8-11)9-13(17)15-7-10-3-4-10/h5-6,8,10,12H,2-4,7,9,14H2,1H3,(H,15,17)
InChIKeyARNHASJAZGCLJF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.42
Rot. Bonds6

About 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide

2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 79104875) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID79104875
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCCC(N)c1ccn(CC(=O)NCC2CC2)c1
InChIInChI=1S/C13H21N3O/c1-2-12(14)11-5-6-16(8-11)9-13(17)15-7-10-3-4-10/h5-6,8,10,12H,2-4,7,9,14H2,1H3,(H,15,17)
InChIKeyARNHASJAZGCLJF-UHFFFAOYSA-N
XLogP1.42
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79105595
N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79107389
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 66405385
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(cyanomethyl)acetamide
CID 79104425
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101870
N-(cyanomethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79105228
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine
CID 79104699
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79105506
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
N-(cyanomethyl)-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79104810
methyl 2-[3-[cyclopropyl(methylamino)methyl]pyrrol-1-yl]acetate
CID 79103308

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide (CID 79104875) is 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide is CCC(N)c1ccn(CC(=O)NCC2CC2)c1.
What is the InChIKey of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is ARNHASJAZGCLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-12(14)11-5-6-16(8-11)9-13(17)15-7-10-3-4-10/h5-6,8,10,12H,2-4,7,9,14H2,1H3,(H,15,17).
What are the key properties of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 79104875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).