(N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+)

C13H28CuN3 — CID 153452818

IUPAC(N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+)
SMILESCCN(CC)CC(C)[N-]/C(C)=N/C(C)(C)C.[Cu+]
InChIInChI=1S/C13H28N3.Cu/c1-8-16(9-2)10-11(3)14-12(4)15-13(5,6)7;/h11H,8-10H2,1-7H3;/q-1;+1
InChIKeyKUDZQSRNDGUFLP-UHFFFAOYSA-N
MW289.93 g/mol
LogP3.30
Rot. Bonds5

About (N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+)

(N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+) (PubChem CID 153452818) has the molecular formula C13H28CuN3 and a molecular weight of 289.93 g/mol. Its IUPAC name is (N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+).

Molecular Properties

Compound Name(N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+)
PubChem CID153452818
Molecular FormulaC13H28CuN3
Molecular Weight289.93 g/mol
Exact Mass289.16
IUPAC Name(N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+)
SMILESCCN(CC)CC(C)[N-]/C(C)=N/C(C)(C)C.[Cu+]
InChIInChI=1S/C13H28N3.Cu/c1-8-16(9-2)10-11(3)14-12(4)15-13(5,6)7;/h11H,8-10H2,1-7H3;/q-1;+1
InChIKeyKUDZQSRNDGUFLP-UHFFFAOYSA-N
XLogP3.30
TPSA29.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.93
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+)?
The IUPAC name of (N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+) (CID 153452818) is (N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+).
What is the SMILES notation for (N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+)?
The canonical SMILES for (N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+) is CCN(CC)CC(C)[N-]/C(C)=N/C(C)(C)C.[Cu+].
What is the InChIKey of (N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+)?
The InChIKey is KUDZQSRNDGUFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N3.Cu/c1-8-16(9-2)10-11(3)14-12(4)15-13(5,6)7;/h11H,8-10H2,1-7H3;/q-1;+1.
What are the key properties of (N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+)?
(N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+) has a molecular weight of 289.93 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+) is sourced from PubChem (CID 153452818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).