(1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane

C11H21N — CID 169076055

IUPAC(1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane
SMILESCC(C)(C)N1C[C@@H]2CC[C@@H](C2)C1
InChIInChI=1S/C11H21N/c1-11(2,3)12-7-9-4-5-10(6-9)8-12/h9-10H,4-8H2,1-3H3/t9-,10+
InChIKeyNQWKEXNSGAEFLE-AOOOYVTPSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds

About (1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane

(1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane (PubChem CID 169076055) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane
PubChem CID169076055
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane
SMILESCC(C)(C)N1C[C@@H]2CC[C@@H](C2)C1
InChIInChI=1S/C11H21N/c1-11(2,3)12-7-9-4-5-10(6-9)8-12/h9-10H,4-8H2,1-3H3/t9-,10+
InChIKeyNQWKEXNSGAEFLE-AOOOYVTPSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

8-tert-butyl-3,8-diazabicyclo[4.3.1]decane
CID 123454359
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
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
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
(1S,4R)-2-tert-butyl-2-azabicyclo[2.2.1]heptane
CID 58465134
methyl 7-tert-butyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 176615841
1,3,5-tritert-butylpiperidine
CID 118013533
3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 43810988
3-tert-butyl-3-aza-8-azanidabicyclo[3.2.1]octane;rubidium(1+)
CID 59777249
1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine
CID 89335604
1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
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-6-oxa-2-azaspiro[3.4]octane
CID 163601733

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane (CID 169076055) is (1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane is CC(C)(C)N1C[C@@H]2CC[C@@H](C2)C1.
What is the InChIKey of (1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane?
The InChIKey is NQWKEXNSGAEFLE-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,3)12-7-9-4-5-10(6-9)8-12/h9-10H,4-8H2,1-3H3/t9-,10+.
What are the key properties of (1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane?
(1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane has a molecular weight of 167.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-tert-butyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 169076055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).