2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride

C8H18Cl2N2 — CID 91642775

IUPAC2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride
SMILESCC1=CCN(CCN)CC1.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-8-2-5-10(6-3-8)7-4-9;;/h2H,3-7,9H2,1H3;2*1H
InChIKeyMGHRUIDATFDBFJ-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride

2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride (PubChem CID 91642775) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride
PubChem CID91642775
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride
SMILESCC1=CCN(CCN)CC1.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-8-2-5-10(6-3-8)7-4-9;;/h2H,3-7,9H2,1H3;2*1H
InChIKeyMGHRUIDATFDBFJ-UHFFFAOYSA-N
XLogP1.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;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 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride (CID 91642775) is 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride is CC1=CCN(CCN)CC1.Cl.Cl.
What is the InChIKey of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride?
The InChIKey is MGHRUIDATFDBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-8-2-5-10(6-3-8)7-4-9;;/h2H,3-7,9H2,1H3;2*1H.
What are the key properties of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride?
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride has a molecular weight of 213.15 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 91642775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).