N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine

C10H17N3O — CID 137095060

IUPACN-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine
SMILESC/N=C1\NCC2(CN3CCC2CC3)O1
InChIInChI=1S/C10H17N3O/c1-11-9-12-6-10(14-9)7-13-4-2-8(10)3-5-13/h8H,2-7H2,1H3,(H,11,12)
InChIKeyUBIKRUDMKORQJN-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.06
Rot. Bonds

About N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine

N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine (PubChem CID 137095060) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine.

Molecular Properties

Compound NameN-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine
PubChem CID137095060
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine
SMILESC/N=C1\NCC2(CN3CCC2CC3)O1
InChIInChI=1S/C10H17N3O/c1-11-9-12-6-10(14-9)7-13-4-2-8(10)3-5-13/h8H,2-7H2,1H3,(H,11,12)
InChIKeyUBIKRUDMKORQJN-UHFFFAOYSA-N
XLogP0.06
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
CID 71434172
(2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
CID 163285388
2-methyl-2,4-ditritiospiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
CID 88622566
(2S,3R,5S)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] 3-oxide
CID 91810606
(2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];(2S,5S)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];dihydrochloride
CID 76965955
5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
CID 121320364
(3R)-5'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
CID 121327812
3'-(2-methylpropyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,2-oxazole]
CID 25000383
(5R)-3-(4-methylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11427027
(5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 142084309
3-propan-2-ylsulfanyl-1-azabicyclo[2.2.2]octane-3-thiol
CID 126761961
N-(1-methylindazol-5-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211109

Frequently Asked Questions

What is the IUPAC name of N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine?
The IUPAC name of N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine (CID 137095060) is N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine.
What is the SMILES notation for N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine?
The canonical SMILES for N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine is C/N=C1\NCC2(CN3CCC2CC3)O1.
What is the InChIKey of N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine?
The InChIKey is UBIKRUDMKORQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-9-12-6-10(14-9)7-13-4-2-8(10)3-5-13/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine?
N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine has a molecular weight of 195.27 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine is sourced from PubChem (CID 137095060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).