copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide

C5H12CuN3 — CID 59013504

IUPACcopper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide
SMILESC/N=C(\[N-]C)N(C)C.[Cu+]
InChIInChI=1S/C5H12N3.Cu/c1-6-5(7-2)8(3)4;/h1-4H3;/q-1;+1
InChIKeyNIKHXFPCPFXUEK-UHFFFAOYSA-N
MW177.72 g/mol
LogP0.53
Rot. Bonds

About copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide

copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide (PubChem CID 59013504) has the molecular formula C5H12CuN3 and a molecular weight of 177.72 g/mol. Its IUPAC name is copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide.

Molecular Properties

Compound Namecopper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide
PubChem CID59013504
Molecular FormulaC5H12CuN3
Molecular Weight177.72 g/mol
Exact Mass177.03
IUPAC Namecopper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide
SMILESC/N=C(\[N-]C)N(C)C.[Cu+]
InChIInChI=1S/C5H12N3.Cu/c1-6-5(7-2)8(3)4;/h1-4H3;/q-1;+1
InChIKeyNIKHXFPCPFXUEK-UHFFFAOYSA-N
XLogP0.53
TPSA29.70 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide?
The IUPAC name of copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide (CID 59013504) is copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide.
What is the SMILES notation for copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide?
The canonical SMILES for copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide is C/N=C(\[N-]C)N(C)C.[Cu+].
What is the InChIKey of copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide?
The InChIKey is NIKHXFPCPFXUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N3.Cu/c1-6-5(7-2)8(3)4;/h1-4H3;/q-1;+1.
What are the key properties of copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide?
copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide has a molecular weight of 177.72 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);methyl-(N,N,N'-trimethylcarbamimidoyl)azanide is sourced from PubChem (CID 59013504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).