4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide

C11H19N3O — CID 115156967

IUPAC4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide
SMILESCN(C(=O)C(C)(C)CCN)c1ccc[nH]1
InChIInChI=1S/C11H19N3O/c1-11(2,6-7-12)10(15)14(3)9-5-4-8-13-9/h4-5,8,13H,6-7,12H2,1-3H3
InChIKeyGAUBARSULXBSGY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.35
Rot. Bonds4

About 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide

4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide (PubChem CID 115156967) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide
PubChem CID115156967
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide
SMILESCN(C(=O)C(C)(C)CCN)c1ccc[nH]1
InChIInChI=1S/C11H19N3O/c1-11(2,6-7-12)10(15)14(3)9-5-4-8-13-9/h4-5,8,13H,6-7,12H2,1-3H3
InChIKeyGAUBARSULXBSGY-UHFFFAOYSA-N
XLogP1.35
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl(1H-pyrrol-2-yl)amino]-3-oxopropanoic acid
CID 115163315
4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
CID 115156946
N-methyl-4-oxo-N-(1H-pyrrol-2-yl)pentanamide
CID 115176799
2-methyl-2-[methyl(1H-pyrrol-2-yl)amino]propanoic acid
CID 115127877
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide
CID 115156948
2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
CID 115186463
3,3-dimethyl-4-[methyl(1H-pyrrol-2-yl)amino]butanoic acid
CID 115220280
4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115157136
2-amino-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]acetamide
CID 115151835
3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115153081
1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
CID 123915713

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide?
The IUPAC name of 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide (CID 115156967) is 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide.
What is the SMILES notation for 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide?
The canonical SMILES for 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide is CN(C(=O)C(C)(C)CCN)c1ccc[nH]1.
What is the InChIKey of 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide?
The InChIKey is GAUBARSULXBSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,6-7-12)10(15)14(3)9-5-4-8-13-9/h4-5,8,13H,6-7,12H2,1-3H3.
What are the key properties of 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide?
4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2,2-trimethyl-N-(1H-pyrrol-2-yl)butanamide is sourced from PubChem (CID 115156967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).