9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

C16H24N2O — CID 83488700

IUPAC9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCC1COCC2(CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C16H24N2O/c1-14-12-19-13-16(17-14)7-9-18(10-8-16)11-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3
InChIKeyBATVOJKQLGKGBG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.03
Rot. Bonds2

About 9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 83488700) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID83488700
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCC1COCC2(CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C16H24N2O/c1-14-12-19-13-16(17-14)7-9-18(10-8-16)11-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3
InChIKeyBATVOJKQLGKGBG-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 58299624
(6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane
CID 171828702
9-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212930
9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-amine
CID 82666438
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(9-benzyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanamine
CID 82667511
1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine
CID 59395187
9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecane;9-benzyl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one;methane;oxolane
CID 159371216
8-benzyl-3-methyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 167345010

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (CID 83488700) is 9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is CC1COCC2(CCN(Cc3ccccc3)CC2)N1.
What is the InChIKey of 9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is BATVOJKQLGKGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14-12-19-13-16(17-14)7-9-18(10-8-16)11-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3.
What are the key properties of 9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 260.38 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 83488700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).