2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride

C15H21ClN6 — CID 54606002

IUPAC2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride
SMILESCN(C)CCN=C(Nc1ccccn1)Nc1ccccn1.Cl
InChIInChI=1S/C15H20N6.ClH/c1-21(2)12-11-18-15(19-13-7-3-5-9-16-13)20-14-8-4-6-10-17-14;/h3-10H,11-12H2,1-2H3,(H2,16,17,18,19,20);1H
InChIKeyUBWCLENYGVSPTG-UHFFFAOYSA-N
MW320.83 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride

2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride (PubChem CID 54606002) has the molecular formula C15H21ClN6 and a molecular weight of 320.83 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride
PubChem CID54606002
Molecular FormulaC15H21ClN6
Molecular Weight320.83 g/mol
Exact Mass320.15
IUPAC Name2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride
SMILESCN(C)CCN=C(Nc1ccccn1)Nc1ccccn1.Cl
InChIInChI=1S/C15H20N6.ClH/c1-21(2)12-11-18-15(19-13-7-3-5-9-16-13)20-14-8-4-6-10-17-14;/h3-10H,11-12H2,1-2H3,(H2,16,17,18,19,20);1H
InChIKeyUBWCLENYGVSPTG-UHFFFAOYSA-N
XLogP2.34
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride (CID 54606002) is 2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride is CN(C)CCN=C(Nc1ccccn1)Nc1ccccn1.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride?
The InChIKey is UBWCLENYGVSPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6.ClH/c1-21(2)12-11-18-15(19-13-7-3-5-9-16-13)20-14-8-4-6-10-17-14;/h3-10H,11-12H2,1-2H3,(H2,16,17,18,19,20);1H.
What are the key properties of 2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride?
2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride has a molecular weight of 320.83 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1,3-dipyridin-2-ylguanidine;hydrochloride is sourced from PubChem (CID 54606002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).