4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide

C11H19N3O — CID 43620669

IUPAC4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCN)n1C
InChIInChI=1S/C11H19N3O/c1-9-5-6-10(14(9)2)8-13-11(15)4-3-7-12/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,15)
InChIKeyKFAPVZIRFBDZKJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.69
Rot. Bonds5

About 4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide

4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide (PubChem CID 43620669) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
PubChem CID43620669
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCN)n1C
InChIInChI=1S/C11H19N3O/c1-9-5-6-10(14(9)2)8-13-11(15)4-3-7-12/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,15)
InChIKeyKFAPVZIRFBDZKJ-UHFFFAOYSA-N
XLogP0.69
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide
CID 62832866
4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylbutanamide
CID 80542152
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 43620649
2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 64617370
3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
CID 32770995
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 31218879
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide
CID 79101397
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 4786534
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide (CID 43620669) is 4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide is Cc1ccc(CNC(=O)CCCN)n1C.
What is the InChIKey of 4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide?
The InChIKey is KFAPVZIRFBDZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-5-6-10(14(9)2)8-13-11(15)4-3-7-12/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide?
4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide has a molecular weight of 209.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide is sourced from PubChem (CID 43620669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).