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

C12H21N3O — CID 79104950

IUPAC2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCCC(N)c1ccn(CC(=O)NC(C)C)c1
InChIInChI=1S/C12H21N3O/c1-4-11(13)10-5-6-15(7-10)8-12(16)14-9(2)3/h5-7,9,11H,4,8,13H2,1-3H3,(H,14,16)
InChIKeyXVARLRWIMWWLPS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds5

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

2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide (PubChem CID 79104950) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide
PubChem CID79104950
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCCC(N)c1ccn(CC(=O)NC(C)C)c1
InChIInChI=1S/C12H21N3O/c1-4-11(13)10-5-6-15(7-10)8-12(16)14-9(2)3/h5-7,9,11H,4,8,13H2,1-3H3,(H,14,16)
InChIKeyXVARLRWIMWWLPS-UHFFFAOYSA-N
XLogP1.42
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79104875
2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66407322
N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79108845
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79109116
1-(1-octylpyrrol-3-yl)propan-1-amine
CID 79105838
1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrole-3-carboxylic acid
CID 79103265
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
CID 79108893
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine
CID 79104699
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79110021
4-[3-(1-aminopropyl)pyrrol-1-yl]-2-methylbutan-2-ol
CID 79355721
N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403928
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79109807

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide (CID 79104950) is 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide is CCC(N)c1ccn(CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is XVARLRWIMWWLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-11(13)10-5-6-15(7-10)8-12(16)14-9(2)3/h5-7,9,11H,4,8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide?
2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.42, 5 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-propan-2-ylacetamide is sourced from PubChem (CID 79104950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).