(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane

C9H17NO2 — CID 96936612

IUPAC(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC[C@H]1CNC[C@]2(CCOC2)O1
InChIInChI=1S/C9H17NO2/c1-2-8-5-10-6-9(12-8)3-4-11-7-9/h8,10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyCDYCWZNLDCNPTB-IUCAKERBSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds1

About (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane

(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 96936612) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID96936612
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC[C@H]1CNC[C@]2(CCOC2)O1
InChIInChI=1S/C9H17NO2/c1-2-8-5-10-6-9(12-8)3-4-11-7-9/h8,10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyCDYCWZNLDCNPTB-IUCAKERBSA-N
XLogP0.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,7R)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936611
(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936602
2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122724
9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65122254
10-ethyl-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122462
2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol
CID 139343385
2-ethyl-9-propyl-1-oxa-4-azaspiro[5.6]dodecane
CID 65122152
6'-ethyl-6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-morpholine]
CID 115511191
6-ethyl-2-methyl-2-(2-methylpropyl)morpholine
CID 65122203
2-(cyclopentylmethyl)-10-propyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 103161160
2-ethyl-10,11-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65122151
6-ethyl-2-methyl-2-pentylmorpholine
CID 80558910

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane (CID 96936612) is (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane is CC[C@H]1CNC[C@]2(CCOC2)O1.
What is the InChIKey of (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is CDYCWZNLDCNPTB-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-8-5-10-6-9(12-8)3-4-11-7-9/h8,10H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane?
(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 171.24 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 96936612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).