CID 173460241

C9H19AlN — CID 173460241

IUPAC—
SMILESC#N.CC(C)C[Al]CC(C)C
InChIInChI=1S/2C4H9.CHN.Al/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H;
InChIKeyQXYIXIMBYJAKKU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.98
Rot. Bonds4

About CID 173460241

CID 173460241 (PubChem CID 173460241) has the molecular formula C9H19AlN and a molecular weight of 168.24 g/mol.

Molecular Properties

Compound NameCID 173460241
PubChem CID173460241
Molecular FormulaC9H19AlN
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name—
SMILESC#N.CC(C)C[Al]CC(C)C
InChIInChI=1S/2C4H9.CHN.Al/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H;
InChIKeyQXYIXIMBYJAKKU-UHFFFAOYSA-N
XLogP2.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 173460241?
The IUPAC name of CID 173460241 (CID 173460241) is not available.
What is the SMILES notation for CID 173460241?
The canonical SMILES for CID 173460241 is C#N.CC(C)C[Al]CC(C)C.
What is the InChIKey of CID 173460241?
The InChIKey is QXYIXIMBYJAKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.CHN.Al/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H;.
What are the key properties of CID 173460241?
CID 173460241 has a molecular weight of 168.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173460241 is sourced from PubChem (CID 173460241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).