7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane

C16H31NO — CID 166843006

IUPAC7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane
SMILESCCCCCCCC(C)N1CCC2(CCCO2)C1
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-9-15(2)17-12-11-16(14-17)10-8-13-18-16/h15H,3-14H2,1-2H3
InChIKeyDDLVTMOZQLEVQI-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.99
Rot. Bonds7

About 7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane

7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 166843006) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane
PubChem CID166843006
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane
SMILESCCCCCCCC(C)N1CCC2(CCCO2)C1
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-9-15(2)17-12-11-16(14-17)10-8-13-18-16/h15H,3-14H2,1-2H3
InChIKeyDDLVTMOZQLEVQI-UHFFFAOYSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethyl-6-oxa-2-azaspiro[4.5]decane
CID 21054009
(2S,4R)-2-(1-methoxyethyl)-1-methyl-4-propylpyrrolidine
CID 54016731
7,8-Di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 58185359
(8S)-7,8-di(propan-2-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 59610600
7-Methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 66831210
(8R)-7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonane
CID 67522737
(8S)-7-methyl-8-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 67992805
7,8-Dimethyl-1-oxa-7-azaspiro[4.4]nonane
CID 68044599
3-Methyl-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decane
CID 68047152
(1S)-N,N-diethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 68201213
2-Butan-2-yl-3-methyl-6-oxa-2-azaspiro[4.5]decane
CID 68392727
7-Cyclohexyl-1-oxa-7-azaspiro[4.4]nonane
CID 70801841

Frequently Asked Questions

What is the IUPAC name of 7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane (CID 166843006) is 7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane is CCCCCCCC(C)N1CCC2(CCCO2)C1.
What is the InChIKey of 7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is DDLVTMOZQLEVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-4-5-6-7-9-15(2)17-12-11-16(14-17)10-8-13-18-16/h15H,3-14H2,1-2H3.
What are the key properties of 7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane?
7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 253.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nonan-2-yl-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 166843006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).