CID 87461036

C8H21AlN — CID 87461036

IUPAC—
SMILESCCNCC.CC[Al]CC
InChIInChI=1S/C4H11N.2C2H5.Al/c1-3-5-4-2;2*1-2;/h5H,3-4H2,1-2H3;2*1H2,2H3;
InChIKeyWZLWGCHOZVPQEC-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.18
Rot. Bonds4

About CID 87461036

CID 87461036 (PubChem CID 87461036) has the molecular formula C8H21AlN and a molecular weight of 158.24 g/mol.

Molecular Properties

Compound NameCID 87461036
PubChem CID87461036
Molecular FormulaC8H21AlN
Molecular Weight158.24 g/mol
Exact Mass158.15
IUPAC Name—
SMILESCCNCC.CC[Al]CC
InChIInChI=1S/C4H11N.2C2H5.Al/c1-3-5-4-2;2*1-2;/h5H,3-4H2,1-2H3;2*1H2,2H3;
InChIKeyWZLWGCHOZVPQEC-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 87461036?
The IUPAC name of CID 87461036 (CID 87461036) is not available.
What is the SMILES notation for CID 87461036?
The canonical SMILES for CID 87461036 is CCNCC.CC[Al]CC.
What is the InChIKey of CID 87461036?
The InChIKey is WZLWGCHOZVPQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.2C2H5.Al/c1-3-5-4-2;2*1-2;/h5H,3-4H2,1-2H3;2*1H2,2H3;.
What are the key properties of CID 87461036?
CID 87461036 has a molecular weight of 158.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87461036 is sourced from PubChem (CID 87461036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).