4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane

C18H36N4O2 — CID 143437554

IUPAC4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCN1CCCC2(CNCCO2)C1.CN1CCOC2(CCCNC2)C1
InChIInChI=1S/2C9H18N2O/c1-11-5-2-3-9(8-11)7-10-4-6-12-9;1-11-5-6-12-9(8-11)3-2-4-10-7-9/h2*10H,2-8H2,1H3
InChIKeyTYPKYWYQHSGITL-UHFFFAOYSA-N
MW340.51 g/mol
LogP0.14
Rot. Bonds

About 4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane

4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 143437554) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID143437554
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCN1CCCC2(CNCCO2)C1.CN1CCOC2(CCCNC2)C1
InChIInChI=1S/2C9H18N2O/c1-11-5-2-3-9(8-11)7-10-4-6-12-9;1-11-5-6-12-9(8-11)3-2-4-10-7-9/h2*10H,2-8H2,1H3
InChIKeyTYPKYWYQHSGITL-UHFFFAOYSA-N
XLogP0.14
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 143437554) is 4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane is CN1CCCC2(CNCCO2)C1.CN1CCOC2(CCCNC2)C1.
What is the InChIKey of 4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is TYPKYWYQHSGITL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2O/c1-11-5-2-3-9(8-11)7-10-4-6-12-9;1-11-5-6-12-9(8-11)3-2-4-10-7-9/h2*10H,2-8H2,1H3.
What are the key properties of 4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane?
4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 340.51 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane;8-methyl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 143437554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).