2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

C20H38N2 — CID 176841596

IUPAC2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1CCC(CN2CC3CC2CN3C(C)(C)C)CC1
InChIInChI=1S/C20H38N2/c1-19(2,3)16-9-7-15(8-10-16)12-21-13-18-11-17(21)14-22(18)20(4,5)6/h15-18H,7-14H2,1-6H3
InChIKeyFOZRIWVOZOAENB-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.40
Rot. Bonds2

About 2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 176841596) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID176841596
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1CCC(CN2CC3CC2CN3C(C)(C)C)CC1
InChIInChI=1S/C20H38N2/c1-19(2,3)16-9-7-15(8-10-16)12-21-13-18-11-17(21)14-22(18)20(4,5)6/h15-18H,7-14H2,1-6H3
InChIKeyFOZRIWVOZOAENB-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4R)-2-tert-butyl-5-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 176841722
2-tert-butyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 176841736
(1S,4S)-2-tert-butyl-5-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841867
(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 59783677
[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 112703650
2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;ethane
CID 161246587
2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
CID 176615945
2-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetic acid
CID 138746892
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
(2S,3R,4R,5S)-1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157039353
1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine
CID 104575657
3-[4-(5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylbutan-2-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 167053533

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 176841596) is 2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is CC(C)(C)C1CCC(CN2CC3CC2CN3C(C)(C)C)CC1.
What is the InChIKey of 2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is FOZRIWVOZOAENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-19(2,3)16-9-7-15(8-10-16)12-21-13-18-11-17(21)14-22(18)20(4,5)6/h15-18H,7-14H2,1-6H3.
What are the key properties of 2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 306.54 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 176841596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).