(6R)-6-tert-butyl-2-azaspiro[3.4]octane

C11H21N — CID 171594496

IUPAC(6R)-6-tert-butyl-2-azaspiro[3.4]octane
SMILESCC(C)(C)[C@@H]1CCC2(CNC2)C1
InChIInChI=1S/C11H21N/c1-10(2,3)9-4-5-11(6-9)7-12-8-11/h9,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyJGYPDMILCLXWOD-SECBINFHSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds

About (6R)-6-tert-butyl-2-azaspiro[3.4]octane

(6R)-6-tert-butyl-2-azaspiro[3.4]octane (PubChem CID 171594496) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (6R)-6-tert-butyl-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(6R)-6-tert-butyl-2-azaspiro[3.4]octane
PubChem CID171594496
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(6R)-6-tert-butyl-2-azaspiro[3.4]octane
SMILESCC(C)(C)[C@@H]1CCC2(CNC2)C1
InChIInChI=1S/C11H21N/c1-10(2,3)9-4-5-11(6-9)7-12-8-11/h9,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyJGYPDMILCLXWOD-SECBINFHSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butylspiro[2.4]heptane
CID 140640828
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
7-tert-butylspiro[3.5]nonane
CID 123908402
2,6-ditert-butylspiro[3.3]heptane
CID 140647096
2-tert-butylspiro[3.5]nonan-7-ol
CID 171769059
(6S)-2-azaspiro[3.4]octan-6-ol
CID 139512548
3-tert-butyl-1,1-difluorocyclopentane
CID 59458655
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane
CID 161082636
N,N-diethyl-2-azaspiro[3.4]octan-6-amine
CID 171092576
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
CID 158523414
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169

Frequently Asked Questions

What is the IUPAC name of (6R)-6-tert-butyl-2-azaspiro[3.4]octane?
The IUPAC name of (6R)-6-tert-butyl-2-azaspiro[3.4]octane (CID 171594496) is (6R)-6-tert-butyl-2-azaspiro[3.4]octane.
What is the SMILES notation for (6R)-6-tert-butyl-2-azaspiro[3.4]octane?
The canonical SMILES for (6R)-6-tert-butyl-2-azaspiro[3.4]octane is CC(C)(C)[C@@H]1CCC2(CNC2)C1.
What is the InChIKey of (6R)-6-tert-butyl-2-azaspiro[3.4]octane?
The InChIKey is JGYPDMILCLXWOD-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2,3)9-4-5-11(6-9)7-12-8-11/h9,12H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (6R)-6-tert-butyl-2-azaspiro[3.4]octane?
(6R)-6-tert-butyl-2-azaspiro[3.4]octane has a molecular weight of 167.30 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-tert-butyl-2-azaspiro[3.4]octane is sourced from PubChem (CID 171594496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).