(8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane

C12H24N2O — CID 166567335

IUPAC(8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane
SMILESCO[C@H]1CCN(C)C12CN(C(C)(C)C)C2
InChIInChI=1S/C12H24N2O/c1-11(2,3)14-8-12(9-14)10(15-5)6-7-13(12)4/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyWNBUUDHVYZQJES-JTQLQIEISA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds1

About (8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane

(8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane (PubChem CID 166567335) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane
PubChem CID166567335
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane
SMILESCO[C@H]1CCN(C)C12CN(C(C)(C)C)C2
InChIInChI=1S/C12H24N2O/c1-11(2,3)14-8-12(9-14)10(15-5)6-7-13(12)4/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyWNBUUDHVYZQJES-JTQLQIEISA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-(1-tert-butylazetidin-3-yl)-3-fluoro-4-methoxypyrrolidine
CID 166567412
(3S,4R)-1-(1-tert-butylazetidin-3-yl)-3-fluoro-4-methoxypyrrolidine
CID 166567469
5-(2-Methoxyethyl)-2,5-diazaspiro[3.4]octane
CID 155822342
4-Methoxy-1,2,2-trimethylpyrrolidine
CID 59768170
N-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine
CID 89967791
(3S)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine
CID 156546100
2-Ethyl-5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octane
CID 166542601
(3S)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine
CID 166567261
(3R)-1-(1-tert-butylazetidin-3-yl)-3-methoxypyrrolidine
CID 166567300
(3R)-1-tert-butyl-3-(3-methoxyazetidin-1-yl)pyrrolidine
CID 166567307
(8R)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane
CID 166567333
(8R)-2-tert-butyl-5-methyl-2,5-diazaspiro[3.4]octan-8-ol
CID 166567362

Frequently Asked Questions

What is the IUPAC name of (8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane?
The IUPAC name of (8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane (CID 166567335) is (8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane.
What is the SMILES notation for (8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane?
The canonical SMILES for (8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane is CO[C@H]1CCN(C)C12CN(C(C)(C)C)C2.
What is the InChIKey of (8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane?
The InChIKey is WNBUUDHVYZQJES-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)14-8-12(9-14)10(15-5)6-7-13(12)4/h10H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of (8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane?
(8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane has a molecular weight of 212.34 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane is sourced from PubChem (CID 166567335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).