6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane

C14H19N — CID 175711466

IUPAC6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane
SMILESCc1ccc(CC2CC3(CNC3)C2)cc1
InChIInChI=1S/C14H19N/c1-11-2-4-12(5-3-11)6-13-7-14(8-13)9-15-10-14/h2-5,13,15H,6-10H2,1H3
InChIKeyZYVFVJRHVCJEQA-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.54
Rot. Bonds2

About 6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane

6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane (PubChem CID 175711466) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane
PubChem CID175711466
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane
SMILESCc1ccc(CC2CC3(CNC3)C2)cc1
InChIInChI=1S/C14H19N/c1-11-2-4-12(5-3-11)6-13-7-14(8-13)9-15-10-14/h2-5,13,15H,6-10H2,1H3
InChIKeyZYVFVJRHVCJEQA-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane (CID 175711466) is 6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane is Cc1ccc(CC2CC3(CNC3)C2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane?
The InChIKey is ZYVFVJRHVCJEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-2-4-12(5-3-11)6-13-7-14(8-13)9-15-10-14/h2-5,13,15H,6-10H2,1H3.
What are the key properties of 6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane?
6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane has a molecular weight of 201.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 175711466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).