2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide

C12H21N3O — CID 79102321

IUPAC2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)Cn1cccc1C(C)N
InChIInChI=1S/C12H21N3O/c1-3-4-7-14-12(16)9-15-8-5-6-11(15)10(2)13/h5-6,8,10H,3-4,7,9,13H2,1-2H3,(H,14,16)
InChIKeyQFWVNAPPYXNAIV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide

2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide (PubChem CID 79102321) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide
PubChem CID79102321
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)Cn1cccc1C(C)N
InChIInChI=1S/C12H21N3O/c1-3-4-7-14-12(16)9-15-8-5-6-11(15)10(2)13/h5-6,8,10H,3-4,7,9,13H2,1-2H3,(H,14,16)
InChIKeyQFWVNAPPYXNAIV-UHFFFAOYSA-N
XLogP1.42
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.42
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-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide
CID 79101821
N-butyl-2-(3-carbamothioyl-2-oxo-1-pyridinyl)acetamide
CID 107017729
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
CID 18941618
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 79106315
2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79102275
N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102745
1-[2-[(4-amino-4-oxobutyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324897
N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101870
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 79102532
N-butyl-2-(7-ethylindol-1-yl)acetamide
CID 116618934

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide (CID 79102321) is 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide is CCCCNC(=O)Cn1cccc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide?
The InChIKey is QFWVNAPPYXNAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-7-14-12(16)9-15-8-5-6-11(15)10(2)13/h5-6,8,10H,3-4,7,9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide?
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide has a molecular weight of 223.32 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-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide is sourced from PubChem (CID 79102321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).