2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide

C12H21N3O — CID 66408404

IUPAC2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc(CN)c1
InChIInChI=1S/C12H21N3O/c1-3-4-10(2)14-12(16)9-15-6-5-11(7-13)8-15/h5-6,8,10H,3-4,7,9,13H2,1-2H3,(H,14,16)
InChIKeyAHJFKDQBBYWMIG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds6

About 2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide

2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 66408404) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
PubChem CID66408404
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc(CN)c1
InChIInChI=1S/C12H21N3O/c1-3-4-10(2)14-12(16)9-15-6-5-11(7-13)8-15/h5-6,8,10H,3-4,7,9,13H2,1-2H3,(H,14,16)
InChIKeyAHJFKDQBBYWMIG-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66407322
N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403928
2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide
CID 82992568
2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide
CID 66407532
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79109116
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide
CID 61489756
2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide
CID 66353279
2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide
CID 66408410
2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide
CID 102913404
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide
CID 62949978
2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide
CID 62970139
N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79108845

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide (CID 66408404) is 2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1ccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is AHJFKDQBBYWMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-10(2)14-12(16)9-15-6-5-11(7-13)8-15/h5-6,8,10H,3-4,7,9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide?
2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 66408404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).