butane-1,1-diamine;copper

C4H12CuN2 — CID 158312531

IUPACbutane-1,1-diamine;copper
SMILESCCCC(N)N.[Cu]
InChIInChI=1S/C4H12N2.Cu/c1-2-3-4(5)6;/h4H,2-3,5-6H2,1H3;
InChIKeyGNVVDEJHIMJFDF-UHFFFAOYSA-N
MW151.70 g/mol
LogP0.03
Rot. Bonds2

About butane-1,1-diamine;copper

butane-1,1-diamine;copper (PubChem CID 158312531) has the molecular formula C4H12CuN2 and a molecular weight of 151.70 g/mol. Its IUPAC name is butane-1,1-diamine;copper.

Molecular Properties

Compound Namebutane-1,1-diamine;copper
PubChem CID158312531
Molecular FormulaC4H12CuN2
Molecular Weight151.70 g/mol
Exact Mass151.03
IUPAC Namebutane-1,1-diamine;copper
SMILESCCCC(N)N.[Cu]
InChIInChI=1S/C4H12N2.Cu/c1-2-3-4(5)6;/h4H,2-3,5-6H2,1H3;
InChIKeyGNVVDEJHIMJFDF-UHFFFAOYSA-N
XLogP0.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.70
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tetradecane-1,1-diamine;dihydrochloride
CID 21115936
pentan-2-amine;propane
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Frequently Asked Questions

What is the IUPAC name of butane-1,1-diamine;copper?
The IUPAC name of butane-1,1-diamine;copper (CID 158312531) is butane-1,1-diamine;copper.
What is the SMILES notation for butane-1,1-diamine;copper?
The canonical SMILES for butane-1,1-diamine;copper is CCCC(N)N.[Cu].
What is the InChIKey of butane-1,1-diamine;copper?
The InChIKey is GNVVDEJHIMJFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.Cu/c1-2-3-4(5)6;/h4H,2-3,5-6H2,1H3;.
What are the key properties of butane-1,1-diamine;copper?
butane-1,1-diamine;copper has a molecular weight of 151.70 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,1-diamine;copper is sourced from PubChem (CID 158312531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).