CID 87644957

C12H30AlN2 — CID 87644957

IUPAC—
SMILESCC(C)(C)C(N)CN.CC(C)[Al]C(C)C
InChIInChI=1S/C6H16N2.2C3H7.Al/c1-6(2,3)5(8)4-7;2*1-3-2;/h5H,4,7-8H2,1-3H3;2*3H,1-2H3;
InChIKeyXXGVWTCGWGZVML-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.67
Rot. Bonds3

About CID 87644957

CID 87644957 (PubChem CID 87644957) has the molecular formula C12H30AlN2 and a molecular weight of 229.37 g/mol.

Molecular Properties

Compound NameCID 87644957
PubChem CID87644957
Molecular FormulaC12H30AlN2
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name—
SMILESCC(C)(C)C(N)CN.CC(C)[Al]C(C)C
InChIInChI=1S/C6H16N2.2C3H7.Al/c1-6(2,3)5(8)4-7;2*1-3-2;/h5H,4,7-8H2,1-3H3;2*3H,1-2H3;
InChIKeyXXGVWTCGWGZVML-UHFFFAOYSA-N
XLogP2.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 87644957?
The IUPAC name of CID 87644957 (CID 87644957) is not available.
What is the SMILES notation for CID 87644957?
The canonical SMILES for CID 87644957 is CC(C)(C)C(N)CN.CC(C)[Al]C(C)C.
What is the InChIKey of CID 87644957?
The InChIKey is XXGVWTCGWGZVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2C3H7.Al/c1-6(2,3)5(8)4-7;2*1-3-2;/h5H,4,7-8H2,1-3H3;2*3H,1-2H3;.
What are the key properties of CID 87644957?
CID 87644957 has a molecular weight of 229.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87644957 is sourced from PubChem (CID 87644957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).