2-methylpropane;2-oxa-6-azaspiro[3.3]heptane

C9H19NO — CID 169145007

IUPAC2-methylpropane;2-oxa-6-azaspiro[3.3]heptane
SMILESC1NCC12COC2.CC(C)C
InChIInChI=1S/C5H9NO.C4H10/c1-5(2-6-1)3-7-4-5;1-4(2)3/h6H,1-4H2;4H,1-3H3
InChIKeyNFGKLUYYLLFTHG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds

About 2-methylpropane;2-oxa-6-azaspiro[3.3]heptane

2-methylpropane;2-oxa-6-azaspiro[3.3]heptane (PubChem CID 169145007) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methylpropane;2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-methylpropane;2-oxa-6-azaspiro[3.3]heptane
PubChem CID169145007
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methylpropane;2-oxa-6-azaspiro[3.3]heptane
SMILESC1NCC12COC2.CC(C)C
InChIInChI=1S/C5H9NO.C4H10/c1-5(2-6-1)3-7-4-5;1-4(2)3/h6H,1-4H2;4H,1-3H3
InChIKeyNFGKLUYYLLFTHG-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-tert-butyl-6,9-dioxa-2-azaspiro[3.6]decane
CID 170728235
(7R)-7-methyl-2,6-dioxa-9-azaspiro[3.6]decane
CID 170028194
ethane;ethanol;6-oxa-2-azaspiro[3.4]octane;dihydrofluoride
CID 178038168
6-oxa-2-azaspiro[3.7]undecane
CID 118209759
methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 159337288
ethane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 160577480
3-azatricyclo[3.1.1.11,5]octane
CID 105426981
7,7-dimethyl-6-oxa-2-azaspiro[3.4]octane;hydrochloride
CID 165475352
2-propan-2-yl-8-oxa-2-azadispiro[3.1.36.14]decane
CID 146419325
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
2-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.3]hexane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[4.4]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane;3-propan-2-yl-3-azaspiro[5.5]undecane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
CID 160619915
8-propan-2-yl-2,8-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 162205455

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 2-methylpropane;2-oxa-6-azaspiro[3.3]heptane (CID 169145007) is 2-methylpropane;2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 2-methylpropane;2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 2-methylpropane;2-oxa-6-azaspiro[3.3]heptane is C1NCC12COC2.CC(C)C.
What is the InChIKey of 2-methylpropane;2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is NFGKLUYYLLFTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H10/c1-5(2-6-1)3-7-4-5;1-4(2)3/h6H,1-4H2;4H,1-3H3.
What are the key properties of 2-methylpropane;2-oxa-6-azaspiro[3.3]heptane?
2-methylpropane;2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 157.26 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 169145007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).