2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone

C12H20N2O — CID 43433568

IUPAC2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCCCC(C)N(C)CC(=O)c1ccc[nH]1
InChIInChI=1S/C12H20N2O/c1-4-6-10(2)14(3)9-12(15)11-7-5-8-13-11/h5,7-8,10,13H,4,6,9H2,1-3H3
InChIKeyCAUMNRUOUSHUOO-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.32
Rot. Bonds6

About 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone

2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 43433568) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone
PubChem CID43433568
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCCCC(C)N(C)CC(=O)c1ccc[nH]1
InChIInChI=1S/C12H20N2O/c1-4-6-10(2)14(3)9-12(15)11-7-5-8-13-11/h5,7-8,10,13H,4,6,9H2,1-3H3
InChIKeyCAUMNRUOUSHUOO-UHFFFAOYSA-N
XLogP2.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone 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

2-[butan-2-yl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43795802
2-(dipropylamino)-1-(1H-pyrrol-2-yl)ethanone
CID 43219598
2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 115611827
N-[2-[1-hydroxypropan-2-yl(methyl)amino]acetyl]-1H-pyrrole-2-carboxamide
CID 113426284
N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115765120
2-amino-3-methyl-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-N-propan-2-ylbutanamide
CID 77144700
2-[2-methoxyethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 61036387
2-[cyclopropylmethyl(propyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60649803
2-ethyl-1-(1H-pyrrol-2-yl)hexan-1-one
CID 63748723
1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796904
1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796956
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60681704

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone (CID 43433568) is 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone is CCCC(C)N(C)CC(=O)c1ccc[nH]1.
What is the InChIKey of 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is CAUMNRUOUSHUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-10(2)14(3)9-12(15)11-7-5-8-13-11/h5,7-8,10,13H,4,6,9H2,1-3H3.
What are the key properties of 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone?
2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 208.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 43433568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).