7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane

C12H21NO2 — CID 71172465

IUPAC7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESC1CCC(N2CCC3(C2)OCCO3)CC1
InChIInChI=1S/C12H21NO2/c1-2-4-11(5-3-1)13-7-6-12(10-13)14-8-9-15-12/h11H,1-10H2
InChIKeyCSUIUOWOGZGAIN-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.77
Rot. Bonds1

About 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane

7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 71172465) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID71172465
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESC1CCC(N2CCC3(C2)OCCO3)CC1
InChIInChI=1S/C12H21NO2/c1-2-4-11(5-3-1)13-7-6-12(10-13)14-8-9-15-12/h11H,1-10H2
InChIKeyCSUIUOWOGZGAIN-UHFFFAOYSA-N
XLogP1.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane (CID 71172465) is 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane is C1CCC(N2CCC3(C2)OCCO3)CC1.
What is the InChIKey of 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is CSUIUOWOGZGAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-4-11(5-3-1)13-7-6-12(10-13)14-8-9-15-12/h11H,1-10H2.
What are the key properties of 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane?
7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 211.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 71172465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).