3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane

C21H40N4 — CID 176841732

IUPAC3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)N1CC2CCC(C1)N2CN1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C21H40N4/c1-20(2,3)23-13-16-7-8-17(14-23)24(16)15-22-11-18-9-10-19(12-22)25(18)21(4,5)6/h16-19H,7-15H2,1-6H3
InChIKeyGKRFQKDSAGBECM-UHFFFAOYSA-N
MW348.58 g/mol
LogP2.84
Rot. Bonds2

About 3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane

3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 176841732) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID176841732
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)N1CC2CCC(C1)N2CN1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C21H40N4/c1-20(2,3)23-13-16-7-8-17(14-23)24(16)15-22-11-18-9-10-19(12-22)25(18)21(4,5)6/h16-19H,7-15H2,1-6H3
InChIKeyGKRFQKDSAGBECM-UHFFFAOYSA-N
XLogP2.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841896
8-tert-butyl-3-[(6-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841524
8-tert-butyl-3-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176842005
6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 176841935
6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 171445186
6-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 176841720
6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 176841382
10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane
CID 160947878
8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 176841713
9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146322997
2-tert-butyl-5-(1-tert-butylazetidin-3-yl)-2,5-diazabicyclo[2.2.2]octane
CID 171445129
1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one
CID 176736984

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane (CID 176841732) is 3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane is CC(C)(C)N1CC2CCC(C1)N2CN1CC2CCC(C1)N2C(C)(C)C.
What is the InChIKey of 3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is GKRFQKDSAGBECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-20(2,3)23-13-16-7-8-17(14-23)24(16)15-22-11-18-9-10-19(12-22)25(18)21(4,5)6/h16-19H,7-15H2,1-6H3.
What are the key properties of 3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?
3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 348.58 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 176841732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).