bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc

C8H26N6O4Zn — CID 6397018

IUPACbis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc
SMILESCN(C)CCN.CN(C)CCN.O=NO.O=NO.[Zn]
InChIInChI=1S/2C4H12N2.2HNO2.Zn/c2*1-6(2)4-3-5;2*2-1-3;/h2*3-5H2,1-2H3;2*(H,2,3);
InChIKeyZTSRPKFUBYZLCF-UHFFFAOYSA-N
MW335.72 g/mol
LogP-0.71
Rot. Bonds4

About bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc

bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc (PubChem CID 6397018) has the molecular formula C8H26N6O4Zn and a molecular weight of 335.72 g/mol. Its IUPAC name is bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc.

Molecular Properties

Compound Namebis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc
PubChem CID6397018
Molecular FormulaC8H26N6O4Zn
Molecular Weight335.72 g/mol
Exact Mass334.13
IUPAC Namebis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc
SMILESCN(C)CCN.CN(C)CCN.O=NO.O=NO.[Zn]
InChIInChI=1S/2C4H12N2.2HNO2.Zn/c2*1-6(2)4-3-5;2*2-1-3;/h2*3-5H2,1-2H3;2*(H,2,3);
InChIKeyZTSRPKFUBYZLCF-UHFFFAOYSA-N
XLogP-0.71
TPSA157.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbamodithioic acid;N',N'-dimethylethane-1,2-diamine
CID 174232024
N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
CID 87642302
bis(N',N'-dimethylethane-1,2-diamine);nickel(2+);diperchlorate
CID 12057472
bis(N',N'-dimethylethane-1,2-diamine);nickel;bis(nickel(2+));tetrakis(N-oxidohydroxylamine);dihydrate
CID 50934623
N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N'-methylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 23499637
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
S-(3-aminopropyl) 3-(dimethylamino)propanethioate;dihydrochloride
CID 23187639
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586
N-(2-aminoethyl)-N-methylcarbamoyl iodide
CID 147395077
N-(3-aminopropyl)-N-methylnitrous amide
CID 169444802
N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
CID 117126542

Frequently Asked Questions

What is the IUPAC name of bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc?
The IUPAC name of bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc (CID 6397018) is bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc.
What is the SMILES notation for bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc?
The canonical SMILES for bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc is CN(C)CCN.CN(C)CCN.O=NO.O=NO.[Zn].
What is the InChIKey of bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc?
The InChIKey is ZTSRPKFUBYZLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H12N2.2HNO2.Zn/c2*1-6(2)4-3-5;2*2-1-3;/h2*3-5H2,1-2H3;2*(H,2,3);.
What are the key properties of bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc?
bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc has a molecular weight of 335.72 g/mol, XLogP of -0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N',N'-dimethylethane-1,2-diamine);nitrous acid;zinc is sourced from PubChem (CID 6397018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).