3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane

C17H26N2 — CID 79441383

IUPAC3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(C2CNCCC23CCN(C)CC3)cc1
InChIInChI=1S/C17H26N2/c1-14-3-5-15(6-4-14)16-13-18-10-7-17(16)8-11-19(2)12-9-17/h3-6,16,18H,7-13H2,1-2H3
InChIKeyCJXCBSGUXVCFCH-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.78
Rot. Bonds1

About 3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane

3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 79441383) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
PubChem CID79441383
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(C2CNCCC23CCN(C)CC3)cc1
InChIInChI=1S/C17H26N2/c1-14-3-5-15(6-4-14)16-13-18-10-7-17(16)8-11-19(2)12-9-17/h3-6,16,18H,7-13H2,1-2H3
InChIKeyCJXCBSGUXVCFCH-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane (CID 79441383) is 3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane is Cc1ccc(C2CNCCC23CCN(C)CC3)cc1.
What is the InChIKey of 3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is CJXCBSGUXVCFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-3-5-15(6-4-14)16-13-18-10-7-17(16)8-11-19(2)12-9-17/h3-6,16,18H,7-13H2,1-2H3.
What are the key properties of 3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane?
3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 258.41 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 79441383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).