5-(4-methylphenyl)-3-azaspiro[5.6]dodecane

C18H27N — CID 79441835

IUPAC5-(4-methylphenyl)-3-azaspiro[5.6]dodecane
SMILESCc1ccc(C2CNCCC23CCCCCC3)cc1
InChIInChI=1S/C18H27N/c1-15-6-8-16(9-7-15)17-14-19-13-12-18(17)10-4-2-3-5-11-18/h6-9,17,19H,2-5,10-14H2,1H3
InChIKeyQPJXNIXGMMVORN-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.41
Rot. Bonds1

About 5-(4-methylphenyl)-3-azaspiro[5.6]dodecane

5-(4-methylphenyl)-3-azaspiro[5.6]dodecane (PubChem CID 79441835) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-azaspiro[5.6]dodecane
PubChem CID79441835
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name5-(4-methylphenyl)-3-azaspiro[5.6]dodecane
SMILESCc1ccc(C2CNCCC23CCCCCC3)cc1
InChIInChI=1S/C18H27N/c1-15-6-8-16(9-7-15)17-14-19-13-12-18(17)10-4-2-3-5-11-18/h6-9,17,19H,2-5,10-14H2,1H3
InChIKeyQPJXNIXGMMVORN-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-azaspiro[5.6]dodecane?
The IUPAC name of 5-(4-methylphenyl)-3-azaspiro[5.6]dodecane (CID 79441835) is 5-(4-methylphenyl)-3-azaspiro[5.6]dodecane.
What is the SMILES notation for 5-(4-methylphenyl)-3-azaspiro[5.6]dodecane?
The canonical SMILES for 5-(4-methylphenyl)-3-azaspiro[5.6]dodecane is Cc1ccc(C2CNCCC23CCCCCC3)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-azaspiro[5.6]dodecane?
The InChIKey is QPJXNIXGMMVORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-15-6-8-16(9-7-15)17-14-19-13-12-18(17)10-4-2-3-5-11-18/h6-9,17,19H,2-5,10-14H2,1H3.
What are the key properties of 5-(4-methylphenyl)-3-azaspiro[5.6]dodecane?
5-(4-methylphenyl)-3-azaspiro[5.6]dodecane has a molecular weight of 257.42 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-azaspiro[5.6]dodecane is sourced from PubChem (CID 79441835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).