copper;1,4-dimethyltriazonane

C8H19CuN3 — CID 70252551

IUPACcopper;1,4-dimethyltriazonane
SMILESCC1CCCCCN(C)NN1.[Cu]
InChIInChI=1S/C8H19N3.Cu/c1-8-6-4-3-5-7-11(2)10-9-8;/h8-10H,3-7H2,1-2H3;
InChIKeySEDXICSLAJKUAS-UHFFFAOYSA-N
MW220.81 g/mol
LogP0.89
Rot. Bonds

About copper;1,4-dimethyltriazonane

copper;1,4-dimethyltriazonane (PubChem CID 70252551) has the molecular formula C8H19CuN3 and a molecular weight of 220.81 g/mol. Its IUPAC name is copper;1,4-dimethyltriazonane.

Molecular Properties

Compound Namecopper;1,4-dimethyltriazonane
PubChem CID70252551
Molecular FormulaC8H19CuN3
Molecular Weight220.81 g/mol
Exact Mass220.09
IUPAC Namecopper;1,4-dimethyltriazonane
SMILESCC1CCCCCN(C)NN1.[Cu]
InChIInChI=1S/C8H19N3.Cu/c1-8-6-4-3-5-7-11(2)10-9-8;/h8-10H,3-7H2,1-2H3;
InChIKeySEDXICSLAJKUAS-UHFFFAOYSA-N
XLogP0.89
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.81
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1,2-dimethyl-azacyclododecane
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cyclopentane;ethane;methylcyclohexane;1-methylpiperidine
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(2S)-2-methylazocane
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(2R)-2-methylazonane
CID 89251055
3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64951928
1,2,3-trimethylazocane
CID 58293714
1,4-dimethyl-azacycloundecane
CID 89347639
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868

Frequently Asked Questions

What is the IUPAC name of copper;1,4-dimethyltriazonane?
The IUPAC name of copper;1,4-dimethyltriazonane (CID 70252551) is copper;1,4-dimethyltriazonane.
What is the SMILES notation for copper;1,4-dimethyltriazonane?
The canonical SMILES for copper;1,4-dimethyltriazonane is CC1CCCCCN(C)NN1.[Cu].
What is the InChIKey of copper;1,4-dimethyltriazonane?
The InChIKey is SEDXICSLAJKUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.Cu/c1-8-6-4-3-5-7-11(2)10-9-8;/h8-10H,3-7H2,1-2H3;.
What are the key properties of copper;1,4-dimethyltriazonane?
copper;1,4-dimethyltriazonane has a molecular weight of 220.81 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,4-dimethyltriazonane is sourced from PubChem (CID 70252551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).