CID 87644309

C7H19AlN2 — CID 87644309

IUPAC—
SMILESCC(C)(C)C(N)CN.C[Al]
InChIInChI=1S/C6H16N2.CH3.Al/c1-6(2,3)5(8)4-7;;/h5H,4,7-8H2,1-3H3;1H3;
InChIKeySIUQNJLUTSMYLQ-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.52
Rot. Bonds1

About CID 87644309

CID 87644309 (PubChem CID 87644309) has the molecular formula C7H19AlN2 and a molecular weight of 158.22 g/mol.

Molecular Properties

Compound NameCID 87644309
PubChem CID87644309
Molecular FormulaC7H19AlN2
Molecular Weight158.22 g/mol
Exact Mass158.14
IUPAC Name—
SMILESCC(C)(C)C(N)CN.C[Al]
InChIInChI=1S/C6H16N2.CH3.Al/c1-6(2,3)5(8)4-7;;/h5H,4,7-8H2,1-3H3;1H3;
InChIKeySIUQNJLUTSMYLQ-UHFFFAOYSA-N
XLogP0.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 87644309?
The IUPAC name of CID 87644309 (CID 87644309) is not available.
What is the SMILES notation for CID 87644309?
The canonical SMILES for CID 87644309 is CC(C)(C)C(N)CN.C[Al].
What is the InChIKey of CID 87644309?
The InChIKey is SIUQNJLUTSMYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.CH3.Al/c1-6(2,3)5(8)4-7;;/h5H,4,7-8H2,1-3H3;1H3;.
What are the key properties of CID 87644309?
CID 87644309 has a molecular weight of 158.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87644309 is sourced from PubChem (CID 87644309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).