6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane

C12H23NO2 — CID 176757671

IUPAC6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)(C)OCCCN1CC2(COC2)C1
InChIInChI=1S/C12H23NO2/c1-11(2,3)15-6-4-5-13-7-12(8-13)9-14-10-12/h4-10H2,1-3H3
InChIKeyXNCSFIZCTASOJE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.52
Rot. Bonds4

About 6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane

6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 176757671) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID176757671
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)(C)OCCCN1CC2(COC2)C1
InChIInChI=1S/C12H23NO2/c1-11(2,3)15-6-4-5-13-7-12(8-13)9-14-10-12/h4-10H2,1-3H3
InChIKeyXNCSFIZCTASOJE-UHFFFAOYSA-N
XLogP1.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane
CID 176757500
6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane
CID 176923726
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
CID 89027797
6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane
CID 164916202
9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134335591
2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane
CID 140899125
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
6-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-oxa-6-azabicyclo[3.1.1]heptane
CID 170385928
6-[3-(2-fluoro-4-iodophenoxy)propyl]-2-oxa-6-azaspiro[3.3]heptane
CID 129051457
6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane
CID 170714850
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
CID 59334347

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane (CID 176757671) is 6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane is CC(C)(C)OCCCN1CC2(COC2)C1.
What is the InChIKey of 6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is XNCSFIZCTASOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)15-6-4-5-13-7-12(8-13)9-14-10-12/h4-10H2,1-3H3.
What are the key properties of 6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane?
6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 213.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 176757671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).