4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline

C14H21N3O — CID 168834086

IUPAC4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline
SMILESCCc1cc(N)c(OC)cc1N1CC2(CNC2)C1
InChIInChI=1S/C14H21N3O/c1-3-10-4-11(15)13(18-2)5-12(10)17-8-14(9-17)6-16-7-14/h4-5,16H,3,6-9,15H2,1-2H3
InChIKeyBYYXWMIMMGQXMU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.25
Rot. Bonds3

About 4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline

4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline (PubChem CID 168834086) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline.

Molecular Properties

Compound Name4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline
PubChem CID168834086
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline
SMILESCCc1cc(N)c(OC)cc1N1CC2(CNC2)C1
InChIInChI=1S/C14H21N3O/c1-3-10-4-11(15)13(18-2)5-12(10)17-8-14(9-17)6-16-7-14/h4-5,16H,3,6-9,15H2,1-2H3
InChIKeyBYYXWMIMMGQXMU-UHFFFAOYSA-N
XLogP1.25
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline
CID 177085199
tert-butyl N-[7-(4-amino-2-ethyl-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]-N-methylcarbamate
CID 167273532
tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate
CID 171491758
4-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 175428489
ethane;5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;1-[1-(2-ethyl-5-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine;methane
CID 167595027
3-[7-[[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171491543
5-fluoro-4-methoxy-2-piperazin-1-ylaniline
CID 63597500
2-ethoxy-5-ethyl-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]aniline
CID 59452666
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline
CID 23339963
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078
3-ethyl-6-methoxy-1-benzothiophen-5-amine
CID 130788559

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline?
The IUPAC name of 4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline (CID 168834086) is 4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline.
What is the SMILES notation for 4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline?
The canonical SMILES for 4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline is CCc1cc(N)c(OC)cc1N1CC2(CNC2)C1.
What is the InChIKey of 4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline?
The InChIKey is BYYXWMIMMGQXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-10-4-11(15)13(18-2)5-12(10)17-8-14(9-17)6-16-7-14/h4-5,16H,3,6-9,15H2,1-2H3.
What are the key properties of 4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline?
4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline has a molecular weight of 247.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diazaspiro[3.3]heptan-2-yl)-5-ethyl-2-methoxyaniline is sourced from PubChem (CID 168834086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).