2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide

C14H25N3O — CID 79110021

IUPAC2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCCC(N)c1ccn(CC(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H25N3O/c1-5-6-13(15)12-7-8-17(9-12)10-14(18)16(4)11(2)3/h7-9,11,13H,5-6,10,15H2,1-4H3
InChIKeyGHWZXFOHYCQFHW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.15
Rot. Bonds6

About 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 79110021) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID79110021
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCCC(N)c1ccn(CC(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H25N3O/c1-5-6-13(15)12-7-8-17(9-12)10-14(18)16(4)11(2)3/h7-9,11,13H,5-6,10,15H2,1-4H3
InChIKeyGHWZXFOHYCQFHW-UHFFFAOYSA-N
XLogP2.15
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79102906
2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 79108707
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79099870
1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
CID 79107801
2-[4-(1-aminobutyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 106229119
3-[3-(1-aminobutyl)pyrrol-1-yl]propane-1,2-diol
CID 82851108
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
CID 79108893
2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 79104950
ethyl 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetate
CID 79110034
N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79097566
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79109116
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine
CID 103411315

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 79110021) is 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide is CCCC(N)c1ccn(CC(=O)N(C)C(C)C)c1.
What is the InChIKey of 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is GHWZXFOHYCQFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-6-13(15)12-7-8-17(9-12)10-14(18)16(4)11(2)3/h7-9,11,13H,5-6,10,15H2,1-4H3.
What are the key properties of 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 251.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79110021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).