4-(2,2-dimethylpropyl)cinnoline

C13H16N2 — CID 130295977

IUPAC4-(2,2-dimethylpropyl)cinnoline
SMILESCC(C)(C)Cc1cnnc2ccccc12
InChIInChI=1S/C13H16N2/c1-13(2,3)8-10-9-14-15-12-7-5-4-6-11(10)12/h4-7,9H,8H2,1-3H3
InChIKeyPAYZOXQKWGRVDT-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.22
Rot. Bonds1

About 4-(2,2-dimethylpropyl)cinnoline

4-(2,2-dimethylpropyl)cinnoline (PubChem CID 130295977) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)cinnoline.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)cinnoline
PubChem CID130295977
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name4-(2,2-dimethylpropyl)cinnoline
SMILESCC(C)(C)Cc1cnnc2ccccc12
InChIInChI=1S/C13H16N2/c1-13(2,3)8-10-9-14-15-12-7-5-4-6-11(10)12/h4-7,9H,8H2,1-3H3
InChIKeyPAYZOXQKWGRVDT-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)cinnoline?
The IUPAC name of 4-(2,2-dimethylpropyl)cinnoline (CID 130295977) is 4-(2,2-dimethylpropyl)cinnoline.
What is the SMILES notation for 4-(2,2-dimethylpropyl)cinnoline?
The canonical SMILES for 4-(2,2-dimethylpropyl)cinnoline is CC(C)(C)Cc1cnnc2ccccc12.
What is the InChIKey of 4-(2,2-dimethylpropyl)cinnoline?
The InChIKey is PAYZOXQKWGRVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-13(2,3)8-10-9-14-15-12-7-5-4-6-11(10)12/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)cinnoline?
4-(2,2-dimethylpropyl)cinnoline has a molecular weight of 200.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)cinnoline is sourced from PubChem (CID 130295977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).