7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane

C17H25NO — CID 79008334

IUPAC7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane
SMILESCCC1(Cc2ccccc2)CNCC2(CCCC2)O1
InChIInChI=1S/C17H25NO/c1-2-16(12-15-8-4-3-5-9-15)13-18-14-17(19-16)10-6-7-11-17/h3-5,8-9,18H,2,6-7,10-14H2,1H3
InChIKeyKHPJZPILMKORDB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.31
Rot. Bonds3

About 7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane

7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane (PubChem CID 79008334) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane
PubChem CID79008334
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane
SMILESCCC1(Cc2ccccc2)CNCC2(CCCC2)O1
InChIInChI=1S/C17H25NO/c1-2-16(12-15-8-4-3-5-9-15)13-18-14-17(19-16)10-6-7-11-17/h3-5,8-9,18H,2,6-7,10-14H2,1H3
InChIKeyKHPJZPILMKORDB-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]
CID 114497122
7-ethyl-7-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 65210774
7-methyl-7-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane
CID 65211245
2-[(4-methoxyphenyl)methyl]-2-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 65214030
2-benzyl-2,6,6-trimethylmorpholine
CID 65126692
3-benzyl-3-methylpyrrolidine
CID 58254769
2,2-diethyl-9-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
CID 114497158
3-benzyl-3-butylazetidine
CID 79451820
2-(1-benzylcyclohexyl)-1,4-dioxane
CID 67727429
3-benzylazetidin-3-ol;hydrochloride
CID 67974163
4-benzyl-3,4-diethylpiperidine
CID 79312303
2-benzyl-4-chloro-2-ethyloxane
CID 79008125

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane (CID 79008334) is 7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane is CCC1(Cc2ccccc2)CNCC2(CCCC2)O1.
What is the InChIKey of 7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is KHPJZPILMKORDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-16(12-15-8-4-3-5-9-15)13-18-14-17(19-16)10-6-7-11-17/h3-5,8-9,18H,2,6-7,10-14H2,1H3.
What are the key properties of 7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane?
7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 259.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-7-ethyl-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 79008334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).