3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide

C12H21N3O — CID 79109897

IUPAC3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
SMILESCCCC(NC)c1ccn(CCC(N)=O)c1
InChIInChI=1S/C12H21N3O/c1-3-4-11(14-2)10-5-7-15(9-10)8-6-12(13)16/h5,7,9,11,14H,3-4,6,8H2,1-2H3,(H2,13,16)
InChIKeyUCQDVWXPISSDLR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds7

About 3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide

3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide (PubChem CID 79109897) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
PubChem CID79109897
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
SMILESCCCC(NC)c1ccn(CCC(N)=O)c1
InChIInChI=1S/C12H21N3O/c1-3-4-11(14-2)10-5-7-15(9-10)8-6-12(13)16/h5,7,9,11,14H,3-4,6,8H2,1-2H3,(H2,13,16)
InChIKeyUCQDVWXPISSDLR-UHFFFAOYSA-N
XLogP1.42
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109894
ethyl 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetate
CID 79110034
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79109116
2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
CID 79107966
1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109268
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
methyl 2,2-dimethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanoate
CID 79621887
N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine
CID 79109107
N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
CID 79105677
N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
CID 79107959
methyl 4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanoate
CID 79104624
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 79108233

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide?
The IUPAC name of 3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide (CID 79109897) is 3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide?
The canonical SMILES for 3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide is CCCC(NC)c1ccn(CCC(N)=O)c1.
What is the InChIKey of 3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide?
The InChIKey is UCQDVWXPISSDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-11(14-2)10-5-7-15(9-10)8-6-12(13)16/h5,7,9,11,14H,3-4,6,8H2,1-2H3,(H2,13,16).
What are the key properties of 3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide?
3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide has a molecular weight of 223.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide is sourced from PubChem (CID 79109897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).