CID 87461628

C6H17AlN — CID 87461628

IUPAC—
SMILESCC[Al]CC.CNC
InChIInChI=1S/C2H7N.2C2H5.Al/c1-3-2;2*1-2;/h3H,1-2H3;2*1H2,2H3;
InChIKeyGJAWUBCADZKLRQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.40
Rot. Bonds2

About CID 87461628

CID 87461628 (PubChem CID 87461628) has the molecular formula C6H17AlN and a molecular weight of 130.19 g/mol.

Molecular Properties

Compound NameCID 87461628
PubChem CID87461628
Molecular FormulaC6H17AlN
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Name—
SMILESCC[Al]CC.CNC
InChIInChI=1S/C2H7N.2C2H5.Al/c1-3-2;2*1-2;/h3H,1-2H3;2*1H2,2H3;
InChIKeyGJAWUBCADZKLRQ-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 87461628?
The IUPAC name of CID 87461628 (CID 87461628) is not available.
What is the SMILES notation for CID 87461628?
The canonical SMILES for CID 87461628 is CC[Al]CC.CNC.
What is the InChIKey of CID 87461628?
The InChIKey is GJAWUBCADZKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.2C2H5.Al/c1-3-2;2*1-2;/h3H,1-2H3;2*1H2,2H3;.
What are the key properties of CID 87461628?
CID 87461628 has a molecular weight of 130.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87461628 is sourced from PubChem (CID 87461628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).