6-(2,2-dimethylpropyl)-1,3-dimethylindazole

C14H20N2 — CID 166958458

IUPAC6-(2,2-dimethylpropyl)-1,3-dimethylindazole
SMILESCc1nn(C)c2cc(CC(C)(C)C)ccc12
InChIInChI=1S/C14H20N2/c1-10-12-7-6-11(9-14(2,3)4)8-13(12)16(5)15-10/h6-8H,9H2,1-5H3
InChIKeyQKCPDPDCZFMSNZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.47
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-1,3-dimethylindazole

6-(2,2-dimethylpropyl)-1,3-dimethylindazole (PubChem CID 166958458) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-1,3-dimethylindazole.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-1,3-dimethylindazole
PubChem CID166958458
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name6-(2,2-dimethylpropyl)-1,3-dimethylindazole
SMILESCc1nn(C)c2cc(CC(C)(C)C)ccc12
InChIInChI=1S/C14H20N2/c1-10-12-7-6-11(9-14(2,3)4)8-13(12)16(5)15-10/h6-8H,9H2,1-5H3
InChIKeyQKCPDPDCZFMSNZ-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-1,3-dimethylindazole?
The IUPAC name of 6-(2,2-dimethylpropyl)-1,3-dimethylindazole (CID 166958458) is 6-(2,2-dimethylpropyl)-1,3-dimethylindazole.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-1,3-dimethylindazole?
The canonical SMILES for 6-(2,2-dimethylpropyl)-1,3-dimethylindazole is Cc1nn(C)c2cc(CC(C)(C)C)ccc12.
What is the InChIKey of 6-(2,2-dimethylpropyl)-1,3-dimethylindazole?
The InChIKey is QKCPDPDCZFMSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-12-7-6-11(9-14(2,3)4)8-13(12)16(5)15-10/h6-8H,9H2,1-5H3.
What are the key properties of 6-(2,2-dimethylpropyl)-1,3-dimethylindazole?
6-(2,2-dimethylpropyl)-1,3-dimethylindazole has a molecular weight of 216.33 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-1,3-dimethylindazole is sourced from PubChem (CID 166958458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).