zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride

C12H15Cl2N3Zn+2 — CID 73345757

IUPACzinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
SMILESCl.Cl.[Zn+2].c1ccc(CNCc2ccccn2)nc1
InChIInChI=1S/C12H13N3.2ClH.Zn/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;;;/h1-8,13H,9-10H2;2*1H;/q;;;+2
InChIKeyAQUJHJXFOTVZCK-UHFFFAOYSA-N
MW337.57 g/mol
LogP2.61
Rot. Bonds4

About zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride

zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride (PubChem CID 73345757) has the molecular formula C12H15Cl2N3Zn+2 and a molecular weight of 337.57 g/mol. Its IUPAC name is zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride.

Molecular Properties

Compound Namezinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
PubChem CID73345757
Molecular FormulaC12H15Cl2N3Zn+2
Molecular Weight337.57 g/mol
Exact Mass334.99
IUPAC Namezinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
SMILESCl.Cl.[Zn+2].c1ccc(CNCc2ccccn2)nc1
InChIInChI=1S/C12H13N3.2ClH.Zn/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;;;/h1-8,13H,9-10H2;2*1H;/q;;;+2
InChIKeyAQUJHJXFOTVZCK-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.57
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 2996982
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450

Frequently Asked Questions

What is the IUPAC name of zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride?
The IUPAC name of zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride (CID 73345757) is zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride.
What is the SMILES notation for zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride?
The canonical SMILES for zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride is Cl.Cl.[Zn+2].c1ccc(CNCc2ccccn2)nc1.
What is the InChIKey of zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride?
The InChIKey is AQUJHJXFOTVZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.2ClH.Zn/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;;;/h1-8,13H,9-10H2;2*1H;/q;;;+2.
What are the key properties of zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride?
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride has a molecular weight of 337.57 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride is sourced from PubChem (CID 73345757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).