1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole

C9H18N2 — CID 90345951

IUPAC1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole
SMILESCC1NN(C)C2CCCCC12
InChIInChI=1S/C9H18N2/c1-7-8-5-3-4-6-9(8)11(2)10-7/h7-10H,3-6H2,1-2H3
InChIKeyAUOGSEVZKWSDIA-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.38
Rot. Bonds

About 1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole

1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole (PubChem CID 90345951) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole.

Molecular Properties

Compound Name1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole
PubChem CID90345951
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole
SMILESCC1NN(C)C2CCCCC12
InChIInChI=1S/C9H18N2/c1-7-8-5-3-4-6-9(8)11(2)10-7/h7-10H,3-6H2,1-2H3
InChIKeyAUOGSEVZKWSDIA-UHFFFAOYSA-N
XLogP1.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole?
The IUPAC name of 1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole (CID 90345951) is 1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole.
What is the SMILES notation for 1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole?
The canonical SMILES for 1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole is CC1NN(C)C2CCCCC12.
What is the InChIKey of 1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole?
The InChIKey is AUOGSEVZKWSDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-8-5-3-4-6-9(8)11(2)10-7/h7-10H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole?
1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole has a molecular weight of 154.26 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydroindazole is sourced from PubChem (CID 90345951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).