chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine)

C15H40Cl2Cu2N4O3 — CID 5255455

IUPACchlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine)
SMILESCN(C)CCCN(C)C.CN(C)CCCN(C)C.Cl[Cu].Cl[Cu].OC(O)O
InChIInChI=1S/2C7H18N2.CH4O3.2ClH.2Cu/c2*1-8(2)6-5-7-9(3)4;2-1(3)4;;;;/h2*5-7H2,1-4H3;1-4H;2*1H;;/q;;;;;2*+1/p-2
InChIKeyFFTXCJSSMZSDNU-UHFFFAOYSA-L
MW522.51 g/mol
LogP0.62
Rot. Bonds8

About chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine)

chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine) (PubChem CID 5255455) has the molecular formula C15H40Cl2Cu2N4O3 and a molecular weight of 522.51 g/mol. Its IUPAC name is chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine).

Molecular Properties

Compound Namechlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine)
PubChem CID5255455
Molecular FormulaC15H40Cl2Cu2N4O3
Molecular Weight522.51 g/mol
Exact Mass520.11
IUPAC Namechlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine)
SMILESCN(C)CCCN(C)C.CN(C)CCCN(C)C.Cl[Cu].Cl[Cu].OC(O)O
InChIInChI=1S/2C7H18N2.CH4O3.2ClH.2Cu/c2*1-8(2)6-5-7-9(3)4;2-1(3)4;;;;/h2*5-7H2,1-4H3;1-4H;2*1H;;/q;;;;;2*+1/p-2
InChIKeyFFTXCJSSMZSDNU-UHFFFAOYSA-L
XLogP0.62
TPSA73.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.51
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
CID 22058011
6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
CID 63701347
2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol
CID 87398959
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-N-methylhydroxylamine
CID 176937078
1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
CID 174950006
4-[3-(dimethylamino)propyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66453701
1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol
CID 63700199
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
3-(dimethylamino)propan-1-ol;ethane
CID 142056104

Frequently Asked Questions

What is the IUPAC name of chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine)?
The IUPAC name of chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine) (CID 5255455) is chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine).
What is the SMILES notation for chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine)?
The canonical SMILES for chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine) is CN(C)CCCN(C)C.CN(C)CCCN(C)C.Cl[Cu].Cl[Cu].OC(O)O.
What is the InChIKey of chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine)?
The InChIKey is FFTXCJSSMZSDNU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H18N2.CH4O3.2ClH.2Cu/c2*1-8(2)6-5-7-9(3)4;2-1(3)4;;;;/h2*5-7H2,1-4H3;1-4H;2*1H;;/q;;;;;2*+1/p-2.
What are the key properties of chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine)?
chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine) has a molecular weight of 522.51 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine) is sourced from PubChem (CID 5255455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).