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

C13H23N3O — CID 54928247

IUPAC2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccc(C)n1C
InChIInChI=1S/C13H23N3O/c1-5-8-13(3,14)12(17)15-9-11-7-6-10(2)16(11)4/h6-7H,5,8-9,14H2,1-4H3,(H,15,17)
InChIKeyJFJOUGANPLJHHM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.47
Rot. Bonds5

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

2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide (PubChem CID 54928247) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide
PubChem CID54928247
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCc1ccc(C)n1C
InChIInChI=1S/C13H23N3O/c1-5-8-13(3,14)12(17)15-9-11-7-6-10(2)16(11)4/h6-7H,5,8-9,14H2,1-4H3,(H,15,17)
InChIKeyJFJOUGANPLJHHM-UHFFFAOYSA-N
XLogP1.47
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280646
methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate
CID 131155774
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
CID 61258515
2-amino-2-methyl-N-(1,2-oxazol-3-ylmethyl)pentanamide
CID 81171219
2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61259411
2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride
CID 119781003
2-amino-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811688
2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 103814824
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
CID 106896146
2-amino-N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119718156
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958534

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide (CID 54928247) is 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCc1ccc(C)n1C.
What is the InChIKey of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide?
The InChIKey is JFJOUGANPLJHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-8-13(3,14)12(17)15-9-11-7-6-10(2)16(11)4/h6-7H,5,8-9,14H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide?
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide has a molecular weight of 237.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide is sourced from PubChem (CID 54928247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).