2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane

C14H27NO — CID 65213286

IUPAC2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC(CC)C1CNCC2(CCCCC2)O1
InChIInChI=1S/C14H27NO/c1-3-12(4-2)13-10-15-11-14(16-13)8-6-5-7-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyMOODODYOBOIHGE-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds3

About 2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane

2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65213286) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65213286
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC(CC)C1CNCC2(CCCCC2)O1
InChIInChI=1S/C14H27NO/c1-3-12(4-2)13-10-15-11-14(16-13)8-6-5-7-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyMOODODYOBOIHGE-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane
CID 65103646
2-methyl-6-pentan-3-yl-2-phenylmorpholine
CID 106288436
7-cyclopropyl-6-oxa-9-azaspiro[4.5]decane
CID 65211024
2-(4-ethoxyphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123458
2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123122
7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65210933
2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane
CID 65103698
2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103747
11-ethyl-7-oxa-15-azadispiro[5.1.58.36]hexadecane
CID 65213732
2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65213583
2-ethyl-9-propyl-1-oxa-4-azaspiro[5.6]dodecane
CID 65122152
(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936612

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane (CID 65213286) is 2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane is CCC(CC)C1CNCC2(CCCCC2)O1.
What is the InChIKey of 2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is MOODODYOBOIHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-12(4-2)13-10-15-11-14(16-13)8-6-5-7-9-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane?
2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 225.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65213286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).