2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide

C12H21N3O — CID 66402131

IUPAC2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCNCc1cccn1CC(=O)NCC(C)C
InChIInChI=1S/C12H21N3O/c1-10(2)7-14-12(16)9-15-6-4-5-11(15)8-13-3/h4-6,10,13H,7-9H2,1-3H3,(H,14,16)
InChIKeyXQYAMIVFXOOGEK-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.98
Rot. Bonds6

About 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide

2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 66402131) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID66402131
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCNCc1cccn1CC(=O)NCC(C)C
InChIInChI=1S/C12H21N3O/c1-10(2)7-14-12(16)9-15-6-4-5-11(15)8-13-3/h4-6,10,13H,7-9H2,1-3H3,(H,14,16)
InChIKeyXQYAMIVFXOOGEK-UHFFFAOYSA-N
XLogP0.98
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 66402133
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260
2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide
CID 114652625
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 79106315
2-[2-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66403097
N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66401597
2-(3-amino-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide
CID 62101797
N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
CID 66402331
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
CID 66401632
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide (CID 66402131) is 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide is CNCc1cccn1CC(=O)NCC(C)C.
What is the InChIKey of 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is XQYAMIVFXOOGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)7-14-12(16)9-15-6-4-5-11(15)8-13-3/h4-6,10,13H,7-9H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 66402131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).