cobalt(3+);phenylmethanamine

C21H24CoN3 — CID 21399649

IUPACcobalt(3+);phenylmethanamine
SMILESNCc1[c-]cccc1.NCc1[c-]cccc1.NCc1[c-]cccc1.[Co+3]
InChIInChI=1S/3C7H8N.Co/c3*8-6-7-4-2-1-3-5-7;/h3*1-4H,6,8H2;/q3*-1;+3
InChIKeyFEWLZKZLDBLFIN-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.83
Rot. Bonds3

About cobalt(3+);phenylmethanamine

cobalt(3+);phenylmethanamine (PubChem CID 21399649) has the molecular formula C21H24CoN3 and a molecular weight of 377.38 g/mol. Its IUPAC name is cobalt(3+);phenylmethanamine.

Molecular Properties

Compound Namecobalt(3+);phenylmethanamine
PubChem CID21399649
Molecular FormulaC21H24CoN3
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Namecobalt(3+);phenylmethanamine
SMILESNCc1[c-]cccc1.NCc1[c-]cccc1.NCc1[c-]cccc1.[Co+3]
InChIInChI=1S/3C7H8N.Co/c3*8-6-7-4-2-1-3-5-7;/h3*1-4H,6,8H2;/q3*-1;+3
InChIKeyFEWLZKZLDBLFIN-UHFFFAOYSA-N
XLogP2.83
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);phenylmethanamine?
The IUPAC name of cobalt(3+);phenylmethanamine (CID 21399649) is cobalt(3+);phenylmethanamine.
What is the SMILES notation for cobalt(3+);phenylmethanamine?
The canonical SMILES for cobalt(3+);phenylmethanamine is NCc1[c-]cccc1.NCc1[c-]cccc1.NCc1[c-]cccc1.[Co+3].
What is the InChIKey of cobalt(3+);phenylmethanamine?
The InChIKey is FEWLZKZLDBLFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H8N.Co/c3*8-6-7-4-2-1-3-5-7;/h3*1-4H,6,8H2;/q3*-1;+3.
What are the key properties of cobalt(3+);phenylmethanamine?
cobalt(3+);phenylmethanamine has a molecular weight of 377.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);phenylmethanamine is sourced from PubChem (CID 21399649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).