3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide

C12H21N3O — CID 81080558

IUPAC3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide
SMILESCCC(CN)CC(=O)Nn1c(C)ccc1C
InChIInChI=1S/C12H21N3O/c1-4-11(8-13)7-12(16)14-15-9(2)5-6-10(15)3/h5-6,11H,4,7-8,13H2,1-3H3,(H,14,16)
InChIKeyBARWHZDTICYLRZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.55
Rot. Bonds5

About 3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide

3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide (PubChem CID 81080558) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide
PubChem CID81080558
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide
SMILESCCC(CN)CC(=O)Nn1c(C)ccc1C
InChIInChI=1S/C12H21N3O/c1-4-11(8-13)7-12(16)14-15-9(2)5-6-10(15)3/h5-6,11H,4,7-8,13H2,1-3H3,(H,14,16)
InChIKeyBARWHZDTICYLRZ-UHFFFAOYSA-N
XLogP1.55
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
CID 81080185
3-(aminomethyl)pentanehydrazide
CID 81079841
3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide
CID 114254689
3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide
CID 81070527
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
2-chloro-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 12800072
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 81087637

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide (CID 81080558) is 3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide is CCC(CN)CC(=O)Nn1c(C)ccc1C.
What is the InChIKey of 3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide?
The InChIKey is BARWHZDTICYLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-11(8-13)7-12(16)14-15-9(2)5-6-10(15)3/h5-6,11H,4,7-8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide?
3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide has a molecular weight of 223.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide is sourced from PubChem (CID 81080558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).