7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane

C14H27NO2 — CID 176757500

IUPAC7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)(C)OCCCN1CCC2(CC1)COC2
InChIInChI=1S/C14H27NO2/c1-13(2,3)17-10-4-7-15-8-5-14(6-9-15)11-16-12-14/h4-12H2,1-3H3
InChIKeyLZCFLFUSVXLIGJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.30
Rot. Bonds4

About 7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane

7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 176757500) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane
PubChem CID176757500
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane
SMILESCC(C)(C)OCCCN1CCC2(CC1)COC2
InChIInChI=1S/C14H27NO2/c1-13(2,3)17-10-4-7-15-8-5-14(6-9-15)11-16-12-14/h4-12H2,1-3H3
InChIKeyLZCFLFUSVXLIGJ-UHFFFAOYSA-N
XLogP2.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.30
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

6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane
CID 176757671
2-(2,2-dimethylpropoxy)-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-7-azaspiro[3.5]nonane
CID 140899125
9-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,9-diazaspiro[5.5]undecane
CID 176630003
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
CID 89027797
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134335591
1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488975
[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methanamine
CID 107160540
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile
CID 103994003
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
CID 59334347
6-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-oxa-6-azabicyclo[3.1.1]heptane
CID 170385928

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane (CID 176757500) is 7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane is CC(C)(C)OCCCN1CCC2(CC1)COC2.
What is the InChIKey of 7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is LZCFLFUSVXLIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)17-10-4-7-15-8-5-14(6-9-15)11-16-12-14/h4-12H2,1-3H3.
What are the key properties of 7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane?
7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 241.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 176757500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).