CID 135046571

C18H37AlN- — CID 135046571

IUPAC—
SMILESCCN(CC)C/C=C/CCCC1CC[Al-](CC)(CC)C1
InChIInChI=1S/C14H27N.2C2H5.Al/c1-5-14(4)12-10-8-9-11-13-15(6-2)7-3;2*1-2;/h9,11,14H,1,4-8,10,12-13H2,2-3H3;2*1H2,2H3;/q;;;-1/b11-9+;;;
InChIKeyRQKDBTKAZRJSJK-OOQPXJNPSA-N
MW294.48 g/mol
LogP5.56
Rot. Bonds10

About CID 135046571

CID 135046571 (PubChem CID 135046571) has the molecular formula C18H37AlN- and a molecular weight of 294.48 g/mol.

Molecular Properties

Compound NameCID 135046571
PubChem CID135046571
Molecular FormulaC18H37AlN-
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name—
SMILESCCN(CC)C/C=C/CCCC1CC[Al-](CC)(CC)C1
InChIInChI=1S/C14H27N.2C2H5.Al/c1-5-14(4)12-10-8-9-11-13-15(6-2)7-3;2*1-2;/h9,11,14H,1,4-8,10,12-13H2,2-3H3;2*1H2,2H3;/q;;;-1/b11-9+;;;
InChIKeyRQKDBTKAZRJSJK-OOQPXJNPSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135046571?
The IUPAC name of CID 135046571 (CID 135046571) is not available.
What is the SMILES notation for CID 135046571?
The canonical SMILES for CID 135046571 is CCN(CC)C/C=C/CCCC1CC[Al-](CC)(CC)C1.
What is the InChIKey of CID 135046571?
The InChIKey is RQKDBTKAZRJSJK-OOQPXJNPSA-N. The full InChI is InChI=1S/C14H27N.2C2H5.Al/c1-5-14(4)12-10-8-9-11-13-15(6-2)7-3;2*1-2;/h9,11,14H,1,4-8,10,12-13H2,2-3H3;2*1H2,2H3;/q;;;-1/b11-9+;;;.
What are the key properties of CID 135046571?
CID 135046571 has a molecular weight of 294.48 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046571 is sourced from PubChem (CID 135046571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).