6-(2-methylphenyl)-4-azaspiro[2.4]heptane

C13H17N — CID 105442772

IUPAC6-(2-methylphenyl)-4-azaspiro[2.4]heptane
SMILESCc1ccccc1C1CNC2(CC2)C1
InChIInChI=1S/C13H17N/c1-10-4-2-3-5-12(10)11-8-13(6-7-13)14-9-11/h2-5,11,14H,6-9H2,1H3
InChIKeySTTZLPHGYDCNKA-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.60
Rot. Bonds1

About 6-(2-methylphenyl)-4-azaspiro[2.4]heptane

6-(2-methylphenyl)-4-azaspiro[2.4]heptane (PubChem CID 105442772) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6-(2-methylphenyl)-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-(2-methylphenyl)-4-azaspiro[2.4]heptane
PubChem CID105442772
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6-(2-methylphenyl)-4-azaspiro[2.4]heptane
SMILESCc1ccccc1C1CNC2(CC2)C1
InChIInChI=1S/C13H17N/c1-10-4-2-3-5-12(10)11-8-13(6-7-13)14-9-11/h2-5,11,14H,6-9H2,1H3
InChIKeySTTZLPHGYDCNKA-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-5-(2-methylphenyl)piperidine
CID 82282661
[2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol
CID 117270803
6-phenyl-4-azaspiro[2.4]heptane
CID 68626845
(3S)-3-phenyl-1-azaspiro[4.5]decane
CID 129366123
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
2-(methoxymethyl)-2-methyl-4-(2-methylphenyl)piperidine
CID 117258589
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
1-amino-4-(2-methylphenyl)cyclohexane-1-carboxylic acid
CID 82290126
4-[(6R)-4-azaspiro[2.4]heptan-6-yl]-1H-pyridin-2-one
CID 168982155
2-methyl-6-(2-methylphenyl)morpholine
CID 43367022
3-(2-methylphenyl)piperidin-4-ol
CID 117168026

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-4-azaspiro[2.4]heptane?
The IUPAC name of 6-(2-methylphenyl)-4-azaspiro[2.4]heptane (CID 105442772) is 6-(2-methylphenyl)-4-azaspiro[2.4]heptane.
What is the SMILES notation for 6-(2-methylphenyl)-4-azaspiro[2.4]heptane?
The canonical SMILES for 6-(2-methylphenyl)-4-azaspiro[2.4]heptane is Cc1ccccc1C1CNC2(CC2)C1.
What is the InChIKey of 6-(2-methylphenyl)-4-azaspiro[2.4]heptane?
The InChIKey is STTZLPHGYDCNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-4-2-3-5-12(10)11-8-13(6-7-13)14-9-11/h2-5,11,14H,6-9H2,1H3.
What are the key properties of 6-(2-methylphenyl)-4-azaspiro[2.4]heptane?
6-(2-methylphenyl)-4-azaspiro[2.4]heptane has a molecular weight of 187.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-4-azaspiro[2.4]heptane is sourced from PubChem (CID 105442772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).