1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole

C11H22N2 — CID 140573460

IUPAC1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole
SMILESCC(C)C1NN(C)C2CCCCC12
InChIInChI=1S/C11H22N2/c1-8(2)11-9-6-4-5-7-10(9)13(3)12-11/h8-12H,4-7H2,1-3H3
InChIKeyYEWMRBPVDKGZKX-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.02
Rot. Bonds1

About 1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole

1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole (PubChem CID 140573460) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole
PubChem CID140573460
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole
SMILESCC(C)C1NN(C)C2CCCCC12
InChIInChI=1S/C11H22N2/c1-8(2)11-9-6-4-5-7-10(9)13(3)12-11/h8-12H,4-7H2,1-3H3
InChIKeyYEWMRBPVDKGZKX-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole?
The IUPAC name of 1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole (CID 140573460) is 1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole.
What is the SMILES notation for 1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole?
The canonical SMILES for 1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole is CC(C)C1NN(C)C2CCCCC12.
What is the InChIKey of 1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole?
The InChIKey is YEWMRBPVDKGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)11-9-6-4-5-7-10(9)13(3)12-11/h8-12H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole?
1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole has a molecular weight of 182.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindazole is sourced from PubChem (CID 140573460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).