copper;1,1-di(cyclooctyl)ethane-1,2-diamine

C18H36CuN2 — CID 118577975

IUPACcopper;1,1-di(cyclooctyl)ethane-1,2-diamine
SMILESNCC(N)(C1CCCCCCC1)C1CCCCCCC1.[Cu]
InChIInChI=1S/C18H36N2.Cu/c19-15-18(20,16-11-7-3-1-4-8-12-16)17-13-9-5-2-6-10-14-17;/h16-17H,1-15,19-20H2;
InChIKeyCOWGYNUJKRXKKG-UHFFFAOYSA-N
MW344.05 g/mol
LogP4.36
Rot. Bonds3

About copper;1,1-di(cyclooctyl)ethane-1,2-diamine

copper;1,1-di(cyclooctyl)ethane-1,2-diamine (PubChem CID 118577975) has the molecular formula C18H36CuN2 and a molecular weight of 344.05 g/mol. Its IUPAC name is copper;1,1-di(cyclooctyl)ethane-1,2-diamine.

Molecular Properties

Compound Namecopper;1,1-di(cyclooctyl)ethane-1,2-diamine
PubChem CID118577975
Molecular FormulaC18H36CuN2
Molecular Weight344.05 g/mol
Exact Mass343.22
IUPAC Namecopper;1,1-di(cyclooctyl)ethane-1,2-diamine
SMILESNCC(N)(C1CCCCCCC1)C1CCCCCCC1.[Cu]
InChIInChI=1S/C18H36N2.Cu/c19-15-18(20,16-11-7-3-1-4-8-12-16)17-13-9-5-2-6-10-14-17;/h16-17H,1-15,19-20H2;
InChIKeyCOWGYNUJKRXKKG-UHFFFAOYSA-N
XLogP4.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of copper;1,1-di(cyclooctyl)ethane-1,2-diamine?
The IUPAC name of copper;1,1-di(cyclooctyl)ethane-1,2-diamine (CID 118577975) is copper;1,1-di(cyclooctyl)ethane-1,2-diamine.
What is the SMILES notation for copper;1,1-di(cyclooctyl)ethane-1,2-diamine?
The canonical SMILES for copper;1,1-di(cyclooctyl)ethane-1,2-diamine is NCC(N)(C1CCCCCCC1)C1CCCCCCC1.[Cu].
What is the InChIKey of copper;1,1-di(cyclooctyl)ethane-1,2-diamine?
The InChIKey is COWGYNUJKRXKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2.Cu/c19-15-18(20,16-11-7-3-1-4-8-12-16)17-13-9-5-2-6-10-14-17;/h16-17H,1-15,19-20H2;.
What are the key properties of copper;1,1-di(cyclooctyl)ethane-1,2-diamine?
copper;1,1-di(cyclooctyl)ethane-1,2-diamine has a molecular weight of 344.05 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,1-di(cyclooctyl)ethane-1,2-diamine is sourced from PubChem (CID 118577975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).