2-tert-butyl-6-oxa-2-azaspiro[3.4]octane

C10H19NO — CID 58441398

IUPAC2-tert-butyl-6-oxa-2-azaspiro[3.4]octane
SMILESCC(C)(C)N1CC2(CCOC2)C1
InChIInChI=1S/C10H19NO/c1-9(2,3)11-6-10(7-11)4-5-12-8-10/h4-8H2,1-3H3
InChIKeyZSBQORZJOVXQOZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds

About 2-tert-butyl-6-oxa-2-azaspiro[3.4]octane

2-tert-butyl-6-oxa-2-azaspiro[3.4]octane (PubChem CID 58441398) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-tert-butyl-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-tert-butyl-6-oxa-2-azaspiro[3.4]octane
PubChem CID58441398
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-tert-butyl-6-oxa-2-azaspiro[3.4]octane
SMILESCC(C)(C)N1CC2(CCOC2)C1
InChIInChI=1S/C10H19NO/c1-9(2,3)11-6-10(7-11)4-5-12-8-10/h4-8H2,1-3H3
InChIKeyZSBQORZJOVXQOZ-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 58297160
7-Tert-butyl-2-oxa-7-azaspiro[3.4]octane
CID 58441257
6-Isopropyl-2-oxa-6-azaspiro[3.4]octane
CID 58464495
2-Methyl-6-oxa-2-azaspiro[3.4]octane
CID 58683598
7-Ethyl-2-oxa-7-azaspiro[3.4]octane
CID 68096490
2-Ethyl-6-oxa-2-azaspiro[3.4]octane
CID 68238113
1-Butyl-3-(2,2-dimethylbutoxymethyl)azetidine
CID 68264135
N,N-dimethyl-1-(3-methyloxolan-3-yl)methanamine
CID 68556461
3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine
CID 70644604
7-Propyl-2-oxa-7-azaspiro[3.4]octane
CID 89450690
2-Propan-2-yl-6-oxa-2-azaspiro[3.4]octane
CID 90348091
N,2-dimethyl-N-(oxolan-3-ylmethyl)propan-2-amine
CID 90843516

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-tert-butyl-6-oxa-2-azaspiro[3.4]octane (CID 58441398) is 2-tert-butyl-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-tert-butyl-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-tert-butyl-6-oxa-2-azaspiro[3.4]octane is CC(C)(C)N1CC2(CCOC2)C1.
What is the InChIKey of 2-tert-butyl-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is ZSBQORZJOVXQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2,3)11-6-10(7-11)4-5-12-8-10/h4-8H2,1-3H3.
What are the key properties of 2-tert-butyl-6-oxa-2-azaspiro[3.4]octane?
2-tert-butyl-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 169.27 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 58441398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).