copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate

C11H29Cl2CuN5O8 — CID 139057101

IUPACcopper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate
SMILESCNCCNCCCNCCNCCNC.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H29N5.2ClHO4.Cu/c1-12-6-8-14-4-3-5-15-10-11-16-9-7-13-2;2*2-1(3,4)5;/h12-16H,3-11H2,1-2H3;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeyHCAFNQOUMLDBBR-UHFFFAOYSA-L
MW493.83 g/mol
LogP-10.93
Rot. Bonds13

About copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate

copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate (PubChem CID 139057101) has the molecular formula C11H29Cl2CuN5O8 and a molecular weight of 493.83 g/mol. Its IUPAC name is copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate.

Molecular Properties

Compound Namecopper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate
PubChem CID139057101
Molecular FormulaC11H29Cl2CuN5O8
Molecular Weight493.83 g/mol
Exact Mass492.07
IUPAC Namecopper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate
SMILESCNCCNCCCNCCNCCNC.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H29N5.2ClHO4.Cu/c1-12-6-8-14-4-3-5-15-10-11-16-9-7-13-2;2*2-1(3,4)5;/h12-16H,3-11H2,1-2H3;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeyHCAFNQOUMLDBBR-UHFFFAOYSA-L
XLogP-10.93
TPSA244.63 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.83
LogP ≤ 5-10.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate 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

N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 170744113
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
λ2-plumbane;N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 174769058
6-[3-[6-[3-(methylamino)propylamino]hexylamino]propylamino]hexan-1-ol
CID 53441021
N'-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 54808435
N'-(4,4-dimethylpentyl)-N-methylethane-1,2-diamine
CID 137426453
N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine
CID 158681878
[2-(methylamino)ethylamino]methanol
CID 58963756
copper;N,N'-diethylethane-1,2-diamine;diperchlorate
CID 173220280
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
CID 20647748

Frequently Asked Questions

What is the IUPAC name of copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate?
The IUPAC name of copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate (CID 139057101) is copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate.
What is the SMILES notation for copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate?
The canonical SMILES for copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate is CNCCNCCCNCCNCCNC.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate?
The InChIKey is HCAFNQOUMLDBBR-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H29N5.2ClHO4.Cu/c1-12-6-8-14-4-3-5-15-10-11-16-9-7-13-2;2*2-1(3,4)5;/h12-16H,3-11H2,1-2H3;2*(H,2,3,4,5);/q;;;+2/p-2.
What are the key properties of copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate?
copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate has a molecular weight of 493.83 g/mol, XLogP of -10.93, 13 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate is sourced from PubChem (CID 139057101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).