5-[(1-methylpyrrol-2-yl)methylamino]pentanamide

C11H19N3O — CID 106234174

IUPAC5-[(1-methylpyrrol-2-yl)methylamino]pentanamide
SMILESCn1cccc1CNCCCCC(N)=O
InChIInChI=1S/C11H19N3O/c1-14-8-4-5-10(14)9-13-7-3-2-6-11(12)15/h4-5,8,13H,2-3,6-7,9H2,1H3,(H2,12,15)
InChIKeyYNXBUGCSKWNINU-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.77
Rot. Bonds7

About 5-[(1-methylpyrrol-2-yl)methylamino]pentanamide

5-[(1-methylpyrrol-2-yl)methylamino]pentanamide (PubChem CID 106234174) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[(1-methylpyrrol-2-yl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(1-methylpyrrol-2-yl)methylamino]pentanamide
PubChem CID106234174
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-[(1-methylpyrrol-2-yl)methylamino]pentanamide
SMILESCn1cccc1CNCCCCC(N)=O
InChIInChI=1S/C11H19N3O/c1-14-8-4-5-10(14)9-13-7-3-2-6-11(12)15/h4-5,8,13H,2-3,6-7,9H2,1H3,(H2,12,15)
InChIKeyYNXBUGCSKWNINU-UHFFFAOYSA-N
XLogP0.77
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885
N-[(1-methylpyrrol-2-yl)methyl]octan-1-amine;hydrochloride
CID 17331302
2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
CID 106171308
N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
CID 46398450
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 130478285
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
3-butoxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 115574170
4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide
CID 62131692
5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide
CID 114161729

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrrol-2-yl)methylamino]pentanamide?
The IUPAC name of 5-[(1-methylpyrrol-2-yl)methylamino]pentanamide (CID 106234174) is 5-[(1-methylpyrrol-2-yl)methylamino]pentanamide.
What is the SMILES notation for 5-[(1-methylpyrrol-2-yl)methylamino]pentanamide?
The canonical SMILES for 5-[(1-methylpyrrol-2-yl)methylamino]pentanamide is Cn1cccc1CNCCCCC(N)=O.
What is the InChIKey of 5-[(1-methylpyrrol-2-yl)methylamino]pentanamide?
The InChIKey is YNXBUGCSKWNINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-8-4-5-10(14)9-13-7-3-2-6-11(12)15/h4-5,8,13H,2-3,6-7,9H2,1H3,(H2,12,15).
What are the key properties of 5-[(1-methylpyrrol-2-yl)methylamino]pentanamide?
5-[(1-methylpyrrol-2-yl)methylamino]pentanamide has a molecular weight of 209.29 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrrol-2-yl)methylamino]pentanamide is sourced from PubChem (CID 106234174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).