3-ethyl-N-methylpyridin-2-amine;dihydrochloride

C8H14Cl2N2 — CID 70603683

IUPAC3-ethyl-N-methylpyridin-2-amine;dihydrochloride
SMILESCCc1cccnc1NC.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-3-7-5-4-6-10-8(7)9-2;;/h4-6H,3H2,1-2H3,(H,9,10);2*1H
InChIKeyBMTVXDZVQPCSBJ-UHFFFAOYSA-N
MW209.12 g/mol
LogP2.53
Rot. Bonds2

About 3-ethyl-N-methylpyridin-2-amine;dihydrochloride

3-ethyl-N-methylpyridin-2-amine;dihydrochloride (PubChem CID 70603683) has the molecular formula C8H14Cl2N2 and a molecular weight of 209.12 g/mol. Its IUPAC name is 3-ethyl-N-methylpyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name3-ethyl-N-methylpyridin-2-amine;dihydrochloride
PubChem CID70603683
Molecular FormulaC8H14Cl2N2
Molecular Weight209.12 g/mol
Exact Mass208.05
IUPAC Name3-ethyl-N-methylpyridin-2-amine;dihydrochloride
SMILESCCc1cccnc1NC.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-3-7-5-4-6-10-8(7)9-2;;/h4-6H,3H2,1-2H3,(H,9,10);2*1H
InChIKeyBMTVXDZVQPCSBJ-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-N-methylpyridin-2-amine;dihydrochloride 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 3-ethyl-N-methylpyridin-2-amine;dihydrochloride?
The IUPAC name of 3-ethyl-N-methylpyridin-2-amine;dihydrochloride (CID 70603683) is 3-ethyl-N-methylpyridin-2-amine;dihydrochloride.
What is the SMILES notation for 3-ethyl-N-methylpyridin-2-amine;dihydrochloride?
The canonical SMILES for 3-ethyl-N-methylpyridin-2-amine;dihydrochloride is CCc1cccnc1NC.Cl.Cl.
What is the InChIKey of 3-ethyl-N-methylpyridin-2-amine;dihydrochloride?
The InChIKey is BMTVXDZVQPCSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.2ClH/c1-3-7-5-4-6-10-8(7)9-2;;/h4-6H,3H2,1-2H3,(H,9,10);2*1H.
What are the key properties of 3-ethyl-N-methylpyridin-2-amine;dihydrochloride?
3-ethyl-N-methylpyridin-2-amine;dihydrochloride has a molecular weight of 209.12 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylpyridin-2-amine;dihydrochloride is sourced from PubChem (CID 70603683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).