2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]

C17H25NO — CID 114497122

IUPAC2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]
SMILESCCC1(CC)CNCC2(CCc3ccccc3C2)O1
InChIInChI=1S/C17H25NO/c1-3-16(4-2)12-18-13-17(19-16)10-9-14-7-5-6-8-15(14)11-17/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyOEZDOLGZGGDAQP-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.09
Rot. Bonds2

About 2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]

2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine] (PubChem CID 114497122) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine].

Molecular Properties

Compound Name2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]
PubChem CID114497122
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]
SMILESCCC1(CC)CNCC2(CCc3ccccc3C2)O1
InChIInChI=1S/C17H25NO/c1-3-16(4-2)12-18-13-17(19-16)10-9-14-7-5-6-8-15(14)11-17/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyOEZDOLGZGGDAQP-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]?
The IUPAC name of 2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine] (CID 114497122) is 2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine].
What is the SMILES notation for 2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]?
The canonical SMILES for 2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine] is CCC1(CC)CNCC2(CCc3ccccc3C2)O1.
What is the InChIKey of 2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]?
The InChIKey is OEZDOLGZGGDAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-16(4-2)12-18-13-17(19-16)10-9-14-7-5-6-8-15(14)11-17/h5-8,18H,3-4,9-13H2,1-2H3.
What are the key properties of 2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine]?
2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine] has a molecular weight of 259.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-diethylspiro[2,4-dihydro-1H-naphthalene-3,6'-morpholine] is sourced from PubChem (CID 114497122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).