cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate

C25H30CoN2O4 — CID 174893341

IUPACcobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCc1ccccn1.NCc1cccc(-c2ccccc2)c1.[Co+2]
InChIInChI=1S/C13H13N.C8H11N.2C2H4O2.Co/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12;1-2-5-8-6-3-4-7-9-8;2*1-2(3)4;/h1-9H,10,14H2;3-4,6-7H,2,5H2,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyIEAYGBCLPFGFRX-UHFFFAOYSA-L
MW481.46 g/mol
LogP2.36
Rot. Bonds4

About cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate

cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate (PubChem CID 174893341) has the molecular formula C25H30CoN2O4 and a molecular weight of 481.46 g/mol. Its IUPAC name is cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate.

Molecular Properties

Compound Namecobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate
PubChem CID174893341
Molecular FormulaC25H30CoN2O4
Molecular Weight481.46 g/mol
Exact Mass481.15
IUPAC Namecobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCc1ccccn1.NCc1cccc(-c2ccccc2)c1.[Co+2]
InChIInChI=1S/C13H13N.C8H11N.2C2H4O2.Co/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12;1-2-5-8-6-3-4-7-9-8;2*1-2(3)4;/h1-9H,10,14H2;3-4,6-7H,2,5H2,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyIEAYGBCLPFGFRX-UHFFFAOYSA-L
XLogP2.36
TPSA119.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate?
The IUPAC name of cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate (CID 174893341) is cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate.
What is the SMILES notation for cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate?
The canonical SMILES for cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate is CC(=O)[O-].CC(=O)[O-].CCCc1ccccn1.NCc1cccc(-c2ccccc2)c1.[Co+2].
What is the InChIKey of cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate?
The InChIKey is IEAYGBCLPFGFRX-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H13N.C8H11N.2C2H4O2.Co/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12;1-2-5-8-6-3-4-7-9-8;2*1-2(3)4;/h1-9H,10,14H2;3-4,6-7H,2,5H2,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate?
cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate has a molecular weight of 481.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);(3-phenylphenyl)methanamine;2-propylpyridine;diacetate is sourced from PubChem (CID 174893341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).