5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide

C11H19N3O — CID 79101397

IUPAC5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide
SMILESCc1ccc(C)n1NC(=O)CCCCN
InChIInChI=1S/C11H19N3O/c1-9-6-7-10(2)14(9)13-11(15)5-3-4-8-12/h6-7H,3-5,8,12H2,1-2H3,(H,13,15)
InChIKeyYLPNAGCFFULWFU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.30
Rot. Bonds5

About 5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide

5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide (PubChem CID 79101397) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide
PubChem CID79101397
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide
SMILESCc1ccc(C)n1NC(=O)CCCCN
InChIInChI=1S/C11H19N3O/c1-9-6-7-10(2)14(9)13-11(15)5-3-4-8-12/h6-7H,3-5,8,12H2,1-2H3,(H,13,15)
InChIKeyYLPNAGCFFULWFU-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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

6-[(2,5-dimethylpyrrol-1-yl)amino]-6-oxohexanoic acid
CID 79090556
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
CID 43620669
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid
CID 79089982
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
6-amino-N-[2,6-di(propan-2-yl)phenyl]hexanamide
CID 22633579
7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride
CID 119753331

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide?
The IUPAC name of 5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide (CID 79101397) is 5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide.
What is the SMILES notation for 5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide?
The canonical SMILES for 5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide is Cc1ccc(C)n1NC(=O)CCCCN.
What is the InChIKey of 5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide?
The InChIKey is YLPNAGCFFULWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-6-7-10(2)14(9)13-11(15)5-3-4-8-12/h6-7H,3-5,8,12H2,1-2H3,(H,13,15).
What are the key properties of 5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide?
5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide has a molecular weight of 209.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-dimethylpyrrol-1-yl)pentanamide is sourced from PubChem (CID 79101397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).