3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane

C21H39FN2 — CID 176841805

IUPAC3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)C1CCC(CN2C3CCC2CN(C(C)(C)C)C3)CC1F
InChIInChI=1S/C21H39FN2/c1-20(2,3)18-10-7-15(11-19(18)22)12-24-16-8-9-17(24)14-23(13-16)21(4,5)6/h15-19H,7-14H2,1-6H3
InChIKeySJKQAIXWFMLZFC-UHFFFAOYSA-N
MW338.56 g/mol
LogP4.73
Rot. Bonds2

About 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane

3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 176841805) has the molecular formula C21H39FN2 and a molecular weight of 338.56 g/mol. Its IUPAC name is 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID176841805
Molecular FormulaC21H39FN2
Molecular Weight338.56 g/mol
Exact Mass338.31
IUPAC Name3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)C1CCC(CN2C3CCC2CN(C(C)(C)C)C3)CC1F
InChIInChI=1S/C21H39FN2/c1-20(2,3)18-10-7-15(11-19(18)22)12-24-16-8-9-17(24)14-23(13-16)21(4,5)6/h15-19H,7-14H2,1-6H3
InChIKeySJKQAIXWFMLZFC-UHFFFAOYSA-N
XLogP4.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

1-Tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine
CID 135273179
1-Tert-butyl-4-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine
CID 172546509
1-Tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine
CID 176841251
(1R,4R)-2-tert-butyl-5-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841352
1-Tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2-fluoro-6-methylpiperazine
CID 176841384
2-Tert-butyl-5-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841402
8-Tert-butyl-3-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841753
(1S,4S)-2-tert-butyl-5-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841758
4-Tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine
CID 176841834
(1S,2S)-3-tert-butyl-2-[1-[(3R,4S,5S)-5-tert-butyl-1,3,4-trimethylpyrrolidin-2-yl]-2-methylpropan-2-yl]-3-azabicyclo[4.1.0]heptane
CID 146435445
1,2,3-Tritert-butylazepane;1,2,3-tritert-butylpiperidine;1,2,3-tritert-butylpyrrolidine
CID 159369301
3,4,4,11,11,12,12-Heptamethyl-2,5,13-triazapentacyclo[11.4.1.15,9.02,15.07,10]nonadecane
CID 166996651

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane (CID 176841805) is 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane is CC(C)(C)C1CCC(CN2C3CCC2CN(C(C)(C)C)C3)CC1F.
What is the InChIKey of 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is SJKQAIXWFMLZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39FN2/c1-20(2,3)18-10-7-15(11-19(18)22)12-24-16-8-9-17(24)14-23(13-16)21(4,5)6/h15-19H,7-14H2,1-6H3.
What are the key properties of 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 338.56 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 176841805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).