methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane

C12H31NO — CID 159337288

IUPACmethane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESC.C.C.C.CC(C)N1CC2(COC2)C1
InChIInChI=1S/C8H15NO.4CH4/c1-7(2)9-3-8(4-9)5-10-6-8;;;;/h7H,3-6H2,1-2H3;4*1H4
InChIKeyLFRWKPTWSIIRPQ-UHFFFAOYSA-N
MW205.39 g/mol
LogP3.27
Rot. Bonds1

About methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane

methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 159337288) has the molecular formula C12H31NO and a molecular weight of 205.39 g/mol. Its IUPAC name is methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Namemethane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID159337288
Molecular FormulaC12H31NO
Molecular Weight205.39 g/mol
Exact Mass205.24
IUPAC Namemethane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESC.C.C.C.CC(C)N1CC2(COC2)C1
InChIInChI=1S/C8H15NO.4CH4/c1-7(2)9-3-8(4-9)5-10-6-8;;;;/h7H,3-6H2,1-2H3;4*1H4
InChIKeyLFRWKPTWSIIRPQ-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-8-oxa-2-azadispiro[3.1.36.14]decane
CID 146419325
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167655011
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 157227822
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane
CID 129290547
ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 167593121
2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane
CID 170709269
6-hexan-3-yl-2-oxa-6-azaspiro[3.3]heptane
CID 170384687

Frequently Asked Questions

What is the IUPAC name of methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane (CID 159337288) is methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane is C.C.C.C.CC(C)N1CC2(COC2)C1.
What is the InChIKey of methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is LFRWKPTWSIIRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.4CH4/c1-7(2)9-3-8(4-9)5-10-6-8;;;;/h7H,3-6H2,1-2H3;4*1H4.
What are the key properties of methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 205.39 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 159337288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).