2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine

C13H24N2 — CID 58570609

IUPAC2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine
SMILESCC1=NC(C(C)(C)N(C)C(C)C)=C(C)C1
InChIInChI=1S/C13H24N2/c1-9(2)15(7)13(5,6)12-10(3)8-11(4)14-12/h9H,8H2,1-7H3
InChIKeyHRTJXVCHVRHIQD-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.24
Rot. Bonds3

About 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine

2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine (PubChem CID 58570609) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine
PubChem CID58570609
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine
SMILESCC1=NC(C(C)(C)N(C)C(C)C)=C(C)C1
InChIInChI=1S/C13H24N2/c1-9(2)15(7)13(5,6)12-10(3)8-11(4)14-12/h9H,8H2,1-7H3
InChIKeyHRTJXVCHVRHIQD-UHFFFAOYSA-N
XLogP3.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine (CID 58570609) is 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine is CC1=NC(C(C)(C)N(C)C(C)C)=C(C)C1.
What is the InChIKey of 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine?
The InChIKey is HRTJXVCHVRHIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-9(2)15(7)13(5,6)12-10(3)8-11(4)14-12/h9H,8H2,1-7H3.
What are the key properties of 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine?
2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-3H-pyrrol-5-yl)-N-methyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 58570609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).