CID 16687988

C13H19AlN2+ — CID 16687988

IUPAC—
SMILESCC(C)/N=c1\cccccc1N([Al+])C(C)C
InChIInChI=1S/C13H19N2.Al/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;/h5-11H,1-4H3;/q-1;+2
InChIKeyDPSNRSGGCKUFTA-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.29
Rot. Bonds3

About CID 16687988

CID 16687988 (PubChem CID 16687988) has the molecular formula C13H19AlN2+ and a molecular weight of 230.29 g/mol.

Molecular Properties

Compound NameCID 16687988
PubChem CID16687988
Molecular FormulaC13H19AlN2+
Molecular Weight230.29 g/mol
Exact Mass230.14
IUPAC Name—
SMILESCC(C)/N=c1\cccccc1N([Al+])C(C)C
InChIInChI=1S/C13H19N2.Al/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;/h5-11H,1-4H3;/q-1;+2
InChIKeyDPSNRSGGCKUFTA-UHFFFAOYSA-N
XLogP2.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 16687988 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 16687988?
The IUPAC name of CID 16687988 (CID 16687988) is not available.
What is the SMILES notation for CID 16687988?
The canonical SMILES for CID 16687988 is CC(C)/N=c1\cccccc1N([Al+])C(C)C.
What is the InChIKey of CID 16687988?
The InChIKey is DPSNRSGGCKUFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2.Al/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;/h5-11H,1-4H3;/q-1;+2.
What are the key properties of CID 16687988?
CID 16687988 has a molecular weight of 230.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16687988 is sourced from PubChem (CID 16687988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).