2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide

C10H17N3O — CID 83621902

IUPAC2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
SMILESCn1ccc(CNC(=O)C(C)(C)N)c1
InChIInChI=1S/C10H17N3O/c1-10(2,11)9(14)12-6-8-4-5-13(3)7-8/h4-5,7H,6,11H2,1-3H3,(H,12,14)
InChIKeyNDWQEMCVNLPNSX-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.38
Rot. Bonds3

About 2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide

2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide (PubChem CID 83621902) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
PubChem CID83621902
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
SMILESCn1ccc(CNC(=O)C(C)(C)N)c1
InChIInChI=1S/C10H17N3O/c1-10(2,11)9(14)12-6-8-4-5-13(3)7-8/h4-5,7H,6,11H2,1-3H3,(H,12,14)
InChIKeyNDWQEMCVNLPNSX-UHFFFAOYSA-N
XLogP0.38
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 106509800
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 103814722
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 106390787
2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103943197
N-[(1-methylpyrrol-3-yl)methyl]prop-2-enamide
CID 106390668
2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 83530042
2,2-dimethyl-N-[2-[[N'-methyl-N-[(1-methylpyrrol-3-yl)methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111991963
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342
2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814676

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide (CID 83621902) is 2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide is Cn1ccc(CNC(=O)C(C)(C)N)c1.
What is the InChIKey of 2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide?
The InChIKey is NDWQEMCVNLPNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,11)9(14)12-6-8-4-5-13(3)7-8/h4-5,7H,6,11H2,1-3H3,(H,12,14).
What are the key properties of 2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide?
2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide has a molecular weight of 195.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide is sourced from PubChem (CID 83621902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).