CID 139102048

C22H43CuGeN4 — CID 139102048

IUPAC—
SMILESC/C(=C/C(C)=N/C(C)C)N([GeH])C(C)C.C/C(=C/C(C)=N/C(C)C)[N-]C(C)C.[Cu+]
InChIInChI=1S/C11H22GeN2.C11H21N2.Cu/c1-8(2)13-10(5)7-11(6)14(12)9(3)4;1-8(2)12-10(5)7-11(6)13-9(3)4;/h7-9,12H,1-6H3;7-9H,1-6H3;/q;-1;+1/b11-7-,13-10+;10-7-,13-11+;
InChIKeyIZHMZYSMYBFBOS-KQHVWVABSA-N
MW499.77 g/mol
LogP5.82
Rot. Bonds8

About CID 139102048

CID 139102048 (PubChem CID 139102048) has the molecular formula C22H43CuGeN4 and a molecular weight of 499.77 g/mol.

Molecular Properties

Compound NameCID 139102048
PubChem CID139102048
Molecular FormulaC22H43CuGeN4
Molecular Weight499.77 g/mol
Exact Mass500.20
IUPAC Name—
SMILESC/C(=C/C(C)=N/C(C)C)N([GeH])C(C)C.C/C(=C/C(C)=N/C(C)C)[N-]C(C)C.[Cu+]
InChIInChI=1S/C11H22GeN2.C11H21N2.Cu/c1-8(2)13-10(5)7-11(6)14(12)9(3)4;1-8(2)12-10(5)7-11(6)13-9(3)4;/h7-9,12H,1-6H3;7-9H,1-6H3;/q;-1;+1/b11-7-,13-10+;10-7-,13-11+;
InChIKeyIZHMZYSMYBFBOS-KQHVWVABSA-N
XLogP5.82
TPSA42.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.77
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 139102048?
The IUPAC name of CID 139102048 (CID 139102048) is not available.
What is the SMILES notation for CID 139102048?
The canonical SMILES for CID 139102048 is C/C(=C/C(C)=N/C(C)C)N([GeH])C(C)C.C/C(=C/C(C)=N/C(C)C)[N-]C(C)C.[Cu+].
What is the InChIKey of CID 139102048?
The InChIKey is IZHMZYSMYBFBOS-KQHVWVABSA-N. The full InChI is InChI=1S/C11H22GeN2.C11H21N2.Cu/c1-8(2)13-10(5)7-11(6)14(12)9(3)4;1-8(2)12-10(5)7-11(6)13-9(3)4;/h7-9,12H,1-6H3;7-9H,1-6H3;/q;-1;+1/b11-7-,13-10+;10-7-,13-11+;.
What are the key properties of CID 139102048?
CID 139102048 has a molecular weight of 499.77 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139102048 is sourced from PubChem (CID 139102048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).