6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

C11H22N2 — CID 153432381

IUPAC6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
SMILESCC(C)(C)C1CCC2CNNC2C1
InChIInChI=1S/C11H22N2/c1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h8-10,12-13H,4-7H2,1-3H3
InChIKeyGOYPJOGVLCPPHK-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.93
Rot. Bonds

About 6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole (PubChem CID 153432381) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole.

Molecular Properties

Compound Name6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
PubChem CID153432381
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
SMILESCC(C)(C)C1CCC2CNNC2C1
InChIInChI=1S/C11H22N2/c1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h8-10,12-13H,4-7H2,1-3H3
InChIKeyGOYPJOGVLCPPHK-UHFFFAOYSA-N
XLogP1.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-2-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 63297499
1,3-ditert-butylcyclopentane;ethane
CID 161179598
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole;hydrochloride
CID 170905820
2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 59716049
4-(4-tert-butylcyclohexyl)azetidin-2-one
CID 104576003
6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 43185318
2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane
CID 167686199
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
1,3-ditert-butylcyclohexane;sulfane
CID 159387743
(3aS,5S,6aS)-2,5-ditert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 161153492
4-(4-tert-butylcyclohexyl)-3-methylpiperidine
CID 104576146

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The IUPAC name of 6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole (CID 153432381) is 6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole.
What is the SMILES notation for 6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The canonical SMILES for 6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole is CC(C)(C)C1CCC2CNNC2C1.
What is the InChIKey of 6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The InChIKey is GOYPJOGVLCPPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole has a molecular weight of 182.31 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole is sourced from PubChem (CID 153432381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).