3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride

C8H19Cl2N3 — CID 18428522

IUPAC3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
SMILESCC1CC(N)=NC(C)C1CN.Cl.Cl
InChIInChI=1S/C8H17N3.2ClH/c1-5-3-8(10)11-6(2)7(5)4-9;;/h5-7H,3-4,9H2,1-2H3,(H2,10,11);2*1H
InChIKeySLWRVGNPIRGDFF-UHFFFAOYSA-N
MW228.17 g/mol
LogP1.19
Rot. Bonds1

About 3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride

3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride (PubChem CID 18428522) has the molecular formula C8H19Cl2N3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
PubChem CID18428522
Molecular FormulaC8H19Cl2N3
Molecular Weight228.17 g/mol
Exact Mass227.10
IUPAC Name3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
SMILESCC1CC(N)=NC(C)C1CN.Cl.Cl
InChIInChI=1S/C8H17N3.2ClH/c1-5-3-8(10)11-6(2)7(5)4-9;;/h5-7H,3-4,9H2,1-2H3,(H2,10,11);2*1H
InChIKeySLWRVGNPIRGDFF-UHFFFAOYSA-N
XLogP1.19
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-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-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride?
The IUPAC name of 3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride (CID 18428522) is 3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride.
What is the SMILES notation for 3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride?
The canonical SMILES for 3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride is CC1CC(N)=NC(C)C1CN.Cl.Cl.
What is the InChIKey of 3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride?
The InChIKey is SLWRVGNPIRGDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.2ClH/c1-5-3-8(10)11-6(2)7(5)4-9;;/h5-7H,3-4,9H2,1-2H3,(H2,10,11);2*1H.
What are the key properties of 3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride?
3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride has a molecular weight of 228.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,4-dimethyl-2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride is sourced from PubChem (CID 18428522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).