4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane

C12H24N2O — CID 13051458

IUPAC4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
SMILESCN1CCCNCC12CCOC(C)(C)C2
InChIInChI=1S/C12H24N2O/c1-11(2)9-12(5-8-15-11)10-13-6-4-7-14(12)3/h13H,4-10H2,1-3H3
InChIKeyBVTAFOJUDQJCBN-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds

About 4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane

4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane (PubChem CID 13051458) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
PubChem CID13051458
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
SMILESCN1CCCNCC12CCOC(C)(C)C2
InChIInChI=1S/C12H24N2O/c1-11(2)9-12(5-8-15-11)10-13-6-4-7-14(12)3/h13H,4-10H2,1-3H3
InChIKeyBVTAFOJUDQJCBN-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane (CID 13051458) is 4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane is CN1CCCNCC12CCOC(C)(C)C2.
What is the InChIKey of 4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
The InChIKey is BVTAFOJUDQJCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)9-12(5-8-15-11)10-13-6-4-7-14(12)3/h13H,4-10H2,1-3H3.
What are the key properties of 4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane?
4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane has a molecular weight of 212.34 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7-trimethyl-3-oxa-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 13051458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).