(6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane

C9H18N2O — CID 96631442

IUPAC(6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane
SMILESCN1CCOC[C@@]12CCCNC2
InChIInChI=1S/C9H18N2O/c1-11-5-6-12-8-9(11)3-2-4-10-7-9/h10H,2-8H2,1H3/t9-/m0/s1
InChIKeyRUNGKDAMDSNNSZ-VIFPVBQESA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds

About (6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane

(6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane (PubChem CID 96631442) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane
PubChem CID96631442
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane
SMILESCN1CCOC[C@@]12CCCNC2
InChIInChI=1S/C9H18N2O/c1-11-5-6-12-8-9(11)3-2-4-10-7-9/h10H,2-8H2,1H3/t9-/m0/s1
InChIKeyRUNGKDAMDSNNSZ-VIFPVBQESA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane?
The IUPAC name of (6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane (CID 96631442) is (6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane is CN1CCOC[C@@]12CCCNC2.
What is the InChIKey of (6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane?
The InChIKey is RUNGKDAMDSNNSZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-5-6-12-8-9(11)3-2-4-10-7-9/h10H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane?
(6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane has a molecular weight of 170.26 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-4-oxa-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 96631442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).