6-(3-ethylphenyl)-2-azaspiro[3.4]octane

C15H21N — CID 163218670

IUPAC6-(3-ethylphenyl)-2-azaspiro[3.4]octane
SMILESCCc1cccc(C2CCC3(CNC3)C2)c1
InChIInChI=1S/C15H21N/c1-2-12-4-3-5-13(8-12)14-6-7-15(9-14)10-16-11-15/h3-5,8,14,16H,2,6-7,9-11H2,1H3
InChIKeyXSVJRWWBMRBTPV-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.11
Rot. Bonds2

About 6-(3-ethylphenyl)-2-azaspiro[3.4]octane

6-(3-ethylphenyl)-2-azaspiro[3.4]octane (PubChem CID 163218670) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-(3-ethylphenyl)-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-(3-ethylphenyl)-2-azaspiro[3.4]octane
PubChem CID163218670
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name6-(3-ethylphenyl)-2-azaspiro[3.4]octane
SMILESCCc1cccc(C2CCC3(CNC3)C2)c1
InChIInChI=1S/C15H21N/c1-2-12-4-3-5-13(8-12)14-6-7-15(9-14)10-16-11-15/h3-5,8,14,16H,2,6-7,9-11H2,1H3
InChIKeyXSVJRWWBMRBTPV-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6R)-6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride
CID 175919303
6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride
CID 163218641
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
4-(3-ethylphenyl)piperidine-2,6-dione
CID 170001328
1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene
CID 142058084
6-[4-(difluoromethyl)-3-methylphenyl]-2-azaspiro[3.4]octane
CID 175711436
(6R)-6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octane
CID 170784978
4-[[1-ethyl-4-(3-ethylphenyl)cyclohexyl]methyl]aniline
CID 22420548
4-(3-ethylphenyl)-2-methylpyrrolidine
CID 126676814
6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane
CID 175706595
(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane
CID 175699562
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylphenyl)-2-azaspiro[3.4]octane?
The IUPAC name of 6-(3-ethylphenyl)-2-azaspiro[3.4]octane (CID 163218670) is 6-(3-ethylphenyl)-2-azaspiro[3.4]octane.
What is the SMILES notation for 6-(3-ethylphenyl)-2-azaspiro[3.4]octane?
The canonical SMILES for 6-(3-ethylphenyl)-2-azaspiro[3.4]octane is CCc1cccc(C2CCC3(CNC3)C2)c1.
What is the InChIKey of 6-(3-ethylphenyl)-2-azaspiro[3.4]octane?
The InChIKey is XSVJRWWBMRBTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-12-4-3-5-13(8-12)14-6-7-15(9-14)10-16-11-15/h3-5,8,14,16H,2,6-7,9-11H2,1H3.
What are the key properties of 6-(3-ethylphenyl)-2-azaspiro[3.4]octane?
6-(3-ethylphenyl)-2-azaspiro[3.4]octane has a molecular weight of 215.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylphenyl)-2-azaspiro[3.4]octane is sourced from PubChem (CID 163218670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).