(7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane

C9H18N2O — CID 176639327

IUPAC(7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESC[C@@H]1COC2(CN(C)C2)CN1C
InChIInChI=1S/C9H18N2O/c1-8-4-12-9(7-11(8)3)5-10(2)6-9/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyXCMIOCSNLNMURF-MRVPVSSYSA-N
MW170.26 g/mol
LogP0.02
Rot. Bonds

About (7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane

(7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane (PubChem CID 176639327) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID176639327
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESC[C@@H]1COC2(CN(C)C2)CN1C
InChIInChI=1S/C9H18N2O/c1-8-4-12-9(7-11(8)3)5-10(2)6-9/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyXCMIOCSNLNMURF-MRVPVSSYSA-N
XLogP0.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The IUPAC name of (7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane (CID 176639327) is (7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for (7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for (7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane is C[C@@H]1COC2(CN(C)C2)CN1C.
What is the InChIKey of (7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane?
The InChIKey is XCMIOCSNLNMURF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-4-12-9(7-11(8)3)5-10(2)6-9/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane?
(7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane has a molecular weight of 170.26 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 176639327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).