8-tert-butyl-3,8-diazabicyclo[4.3.1]decane

C12H24N2 — CID 123454359

IUPAC8-tert-butyl-3,8-diazabicyclo[4.3.1]decane
SMILESCC(C)(C)N1CC2CCNCC(C2)C1
InChIInChI=1S/C12H24N2/c1-12(2,3)14-8-10-4-5-13-7-11(6-10)9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyZDJYGQCHFNOJDW-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds

About 8-tert-butyl-3,8-diazabicyclo[4.3.1]decane

8-tert-butyl-3,8-diazabicyclo[4.3.1]decane (PubChem CID 123454359) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 8-tert-butyl-3,8-diazabicyclo[4.3.1]decane.

Molecular Properties

Compound Name8-tert-butyl-3,8-diazabicyclo[4.3.1]decane
PubChem CID123454359
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name8-tert-butyl-3,8-diazabicyclo[4.3.1]decane
SMILESCC(C)(C)N1CC2CCNCC(C2)C1
InChIInChI=1S/C12H24N2/c1-12(2,3)14-8-10-4-5-13-7-11(6-10)9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyZDJYGQCHFNOJDW-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane
CID 169076055
2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-c]azepine
CID 126571223
3-azabicyclo[4.3.1]decane;hydrochloride
CID 138040352
tert-butyl 3,8-diazabicyclo[4.2.1]nonane-8-carboxylate
CID 134513947
(6S)-1-tert-butyl-6-methyl-1,4-diazepane
CID 94238222
bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane
CID 167619112
3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane
CID 163559928
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine
CID 146228066
(1S,4R)-2-tert-butyl-2-azabicyclo[2.2.1]heptane
CID 58465134
4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine
CID 117046241
1,3,5-tritert-butylpiperidine
CID 118013533

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3,8-diazabicyclo[4.3.1]decane?
The IUPAC name of 8-tert-butyl-3,8-diazabicyclo[4.3.1]decane (CID 123454359) is 8-tert-butyl-3,8-diazabicyclo[4.3.1]decane.
What is the SMILES notation for 8-tert-butyl-3,8-diazabicyclo[4.3.1]decane?
The canonical SMILES for 8-tert-butyl-3,8-diazabicyclo[4.3.1]decane is CC(C)(C)N1CC2CCNCC(C2)C1.
What is the InChIKey of 8-tert-butyl-3,8-diazabicyclo[4.3.1]decane?
The InChIKey is ZDJYGQCHFNOJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2,3)14-8-10-4-5-13-7-11(6-10)9-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 8-tert-butyl-3,8-diazabicyclo[4.3.1]decane?
8-tert-butyl-3,8-diazabicyclo[4.3.1]decane has a molecular weight of 196.34 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3,8-diazabicyclo[4.3.1]decane is sourced from PubChem (CID 123454359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).