CID 16687987

C13H19AlN2 — CID 16687987

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;+1
InChIKeyACWXAXKFRSDRHI-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.29
Rot. Bonds3

About CID 16687987

CID 16687987 (PubChem CID 16687987) has the molecular formula C13H19AlN2 and a molecular weight of 230.29 g/mol.

Molecular Properties

Compound NameCID 16687987
PubChem CID16687987
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;+1
InChIKeyACWXAXKFRSDRHI-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

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Frequently Asked Questions

What is the IUPAC name of CID 16687987?
The IUPAC name of CID 16687987 (CID 16687987) is not available.
What is the SMILES notation for CID 16687987?
The canonical SMILES for CID 16687987 is CC(C)/N=c1\cccccc1N([Al])C(C)C.
What is the InChIKey of CID 16687987?
The InChIKey is ACWXAXKFRSDRHI-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;+1.
What are the key properties of CID 16687987?
CID 16687987 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 16687987 is sourced from PubChem (CID 16687987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).