CID 166114650

C6H15Al2N3 — CID 166114650

IUPAC—
SMILES[Al]CNCCNCCNC[Al]
InChIInChI=1S/C6H15N3.2Al/c1-7-3-5-9-6-4-8-2;;/h7-9H,1-6H2;;
InChIKeyRIJBIVCEJMKMFR-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.99
Rot. Bonds8

About CID 166114650

CID 166114650 (PubChem CID 166114650) has the molecular formula C6H15Al2N3 and a molecular weight of 183.17 g/mol.

Molecular Properties

Compound NameCID 166114650
PubChem CID166114650
Molecular FormulaC6H15Al2N3
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name—
SMILES[Al]CNCCNCCNC[Al]
InChIInChI=1S/C6H15N3.2Al/c1-7-3-5-9-6-4-8-2;;/h7-9H,1-6H2;;
InChIKeyRIJBIVCEJMKMFR-UHFFFAOYSA-N
XLogP-1.99
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 166114650?
The IUPAC name of CID 166114650 (CID 166114650) is not available.
What is the SMILES notation for CID 166114650?
The canonical SMILES for CID 166114650 is [Al]CNCCNCCNC[Al].
What is the InChIKey of CID 166114650?
The InChIKey is RIJBIVCEJMKMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3.2Al/c1-7-3-5-9-6-4-8-2;;/h7-9H,1-6H2;;.
What are the key properties of CID 166114650?
CID 166114650 has a molecular weight of 183.17 g/mol, XLogP of -1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166114650 is sourced from PubChem (CID 166114650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).