2-methylpropane-1,2-diamine;zinc;hydrochloride

C4H13ClN2Zn — CID 175571539

IUPAC2-methylpropane-1,2-diamine;zinc;hydrochloride
SMILESCC(C)(N)CN.Cl.[Zn]
InChIInChI=1S/C4H12N2.ClH.Zn/c1-4(2,6)3-5;;/h3,5-6H2,1-2H3;1H;
InChIKeyWXZQTLQHVFTURS-UHFFFAOYSA-N
MW190.00 g/mol
LogP0.10
Rot. Bonds1

About 2-methylpropane-1,2-diamine;zinc;hydrochloride

2-methylpropane-1,2-diamine;zinc;hydrochloride (PubChem CID 175571539) has the molecular formula C4H13ClN2Zn and a molecular weight of 190.00 g/mol. Its IUPAC name is 2-methylpropane-1,2-diamine;zinc;hydrochloride.

Molecular Properties

Compound Name2-methylpropane-1,2-diamine;zinc;hydrochloride
PubChem CID175571539
Molecular FormulaC4H13ClN2Zn
Molecular Weight190.00 g/mol
Exact Mass188.01
IUPAC Name2-methylpropane-1,2-diamine;zinc;hydrochloride
SMILESCC(C)(N)CN.Cl.[Zn]
InChIInChI=1S/C4H12N2.ClH.Zn/c1-4(2,6)3-5;;/h3,5-6H2,1-2H3;1H;
InChIKeyWXZQTLQHVFTURS-UHFFFAOYSA-N
XLogP0.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1,2-diamine;zinc;hydrochloride?
The IUPAC name of 2-methylpropane-1,2-diamine;zinc;hydrochloride (CID 175571539) is 2-methylpropane-1,2-diamine;zinc;hydrochloride.
What is the SMILES notation for 2-methylpropane-1,2-diamine;zinc;hydrochloride?
The canonical SMILES for 2-methylpropane-1,2-diamine;zinc;hydrochloride is CC(C)(N)CN.Cl.[Zn].
What is the InChIKey of 2-methylpropane-1,2-diamine;zinc;hydrochloride?
The InChIKey is WXZQTLQHVFTURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.ClH.Zn/c1-4(2,6)3-5;;/h3,5-6H2,1-2H3;1H;.
What are the key properties of 2-methylpropane-1,2-diamine;zinc;hydrochloride?
2-methylpropane-1,2-diamine;zinc;hydrochloride has a molecular weight of 190.00 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,2-diamine;zinc;hydrochloride is sourced from PubChem (CID 175571539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).