3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane

C18H27N — CID 118118947

IUPAC3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane
SMILESCc1ccc(C2CN(C)CCC23CCCCC3)cc1
InChIInChI=1S/C18H27N/c1-15-6-8-16(9-7-15)17-14-19(2)13-12-18(17)10-4-3-5-11-18/h6-9,17H,3-5,10-14H2,1-2H3
InChIKeyBKTNTYDSJSBWOX-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.36
Rot. Bonds1

About 3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane

3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane (PubChem CID 118118947) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane
PubChem CID118118947
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane
SMILESCc1ccc(C2CN(C)CCC23CCCCC3)cc1
InChIInChI=1S/C18H27N/c1-15-6-8-16(9-7-15)17-14-19(2)13-12-18(17)10-4-3-5-11-18/h6-9,17H,3-5,10-14H2,1-2H3
InChIKeyBKTNTYDSJSBWOX-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane (CID 118118947) is 3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane is Cc1ccc(C2CN(C)CCC23CCCCC3)cc1.
What is the InChIKey of 3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane?
The InChIKey is BKTNTYDSJSBWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-15-6-8-16(9-7-15)17-14-19(2)13-12-18(17)10-4-3-5-11-18/h6-9,17H,3-5,10-14H2,1-2H3.
What are the key properties of 3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane?
3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane has a molecular weight of 257.42 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylphenyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 118118947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).