CID 165403868

C11H21AlN2 — CID 165403868

IUPAC—
SMILESCC.CC.Cc1cc(C[Al])c(C)nn1
InChIInChI=1S/C7H9N2.2C2H6.Al/c1-5-4-6(2)8-9-7(5)3;2*1-2;/h4H,1H2,2-3H3;2*1-2H3;
InChIKeyPCURNJHTWKINEP-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.81
Rot. Bonds1

About CID 165403868

CID 165403868 (PubChem CID 165403868) has the molecular formula C11H21AlN2 and a molecular weight of 208.28 g/mol.

Molecular Properties

Compound NameCID 165403868
PubChem CID165403868
Molecular FormulaC11H21AlN2
Molecular Weight208.28 g/mol
Exact Mass208.15
IUPAC Name—
SMILESCC.CC.Cc1cc(C[Al])c(C)nn1
InChIInChI=1S/C7H9N2.2C2H6.Al/c1-5-4-6(2)8-9-7(5)3;2*1-2;/h4H,1H2,2-3H3;2*1-2H3;
InChIKeyPCURNJHTWKINEP-UHFFFAOYSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 165403868 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 165403868?
The IUPAC name of CID 165403868 (CID 165403868) is not available.
What is the SMILES notation for CID 165403868?
The canonical SMILES for CID 165403868 is CC.CC.Cc1cc(C[Al])c(C)nn1.
What is the InChIKey of CID 165403868?
The InChIKey is PCURNJHTWKINEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2.2C2H6.Al/c1-5-4-6(2)8-9-7(5)3;2*1-2;/h4H,1H2,2-3H3;2*1-2H3;.
What are the key properties of CID 165403868?
CID 165403868 has a molecular weight of 208.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165403868 is sourced from PubChem (CID 165403868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).