9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane

C9H18N2O — CID 139365126

IUPAC9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane
SMILESCN1CCCC2(CC1)CNCO2
InChIInChI=1S/C9H18N2O/c1-11-5-2-3-9(4-6-11)7-10-8-12-9/h10H,2-8H2,1H3
InChIKeyHJDGNVJZGPKMQH-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.42
Rot. Bonds

About 9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane

9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane (PubChem CID 139365126) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane
PubChem CID139365126
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane
SMILESCN1CCCC2(CC1)CNCO2
InChIInChI=1S/C9H18N2O/c1-11-5-2-3-9(4-6-11)7-10-8-12-9/h10H,2-8H2,1H3
InChIKeyHJDGNVJZGPKMQH-UHFFFAOYSA-N
XLogP0.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane?
The IUPAC name of 9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane (CID 139365126) is 9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane.
What is the SMILES notation for 9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane?
The canonical SMILES for 9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane is CN1CCCC2(CC1)CNCO2.
What is the InChIKey of 9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane?
The InChIKey is HJDGNVJZGPKMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-5-2-3-9(4-6-11)7-10-8-12-9/h10H,2-8H2,1H3.
What are the key properties of 9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane?
9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane has a molecular weight of 170.26 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-oxa-3,9-diazaspiro[4.6]undecane is sourced from PubChem (CID 139365126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).