2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline

C14H20N2O — CID 177204265

IUPAC2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline
SMILESCCc1cc(N2CCOC3(CC3)C2)ccc1N
InChIInChI=1S/C14H20N2O/c1-2-11-9-12(3-4-13(11)15)16-7-8-17-14(10-16)5-6-14/h3-4,9H,2,5-8,10,15H2,1H3
InChIKeyZQUAGRFTBGYIAO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.20
Rot. Bonds2

About 2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline

2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline (PubChem CID 177204265) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline.

Molecular Properties

Compound Name2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline
PubChem CID177204265
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline
SMILESCCc1cc(N2CCOC3(CC3)C2)ccc1N
InChIInChI=1S/C14H20N2O/c1-2-11-9-12(3-4-13(11)15)16-7-8-17-14(10-16)5-6-14/h3-4,9H,2,5-8,10,15H2,1H3
InChIKeyZQUAGRFTBGYIAO-UHFFFAOYSA-N
XLogP2.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline?
The IUPAC name of 2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline (CID 177204265) is 2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline.
What is the SMILES notation for 2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline?
The canonical SMILES for 2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline is CCc1cc(N2CCOC3(CC3)C2)ccc1N.
What is the InChIKey of 2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline?
The InChIKey is ZQUAGRFTBGYIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11-9-12(3-4-13(11)15)16-7-8-17-14(10-16)5-6-14/h3-4,9H,2,5-8,10,15H2,1H3.
What are the key properties of 2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline?
2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline has a molecular weight of 232.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-oxa-7-azaspiro[2.5]octan-7-yl)aniline is sourced from PubChem (CID 177204265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).