5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline

C15H22N2 — CID 79689557

IUPAC5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline
SMILESCCc1ccc(N2CC3(CCCC3)C2)cc1N
InChIInChI=1S/C15H22N2/c1-2-12-5-6-13(9-14(12)16)17-10-15(11-17)7-3-4-8-15/h5-6,9H,2-4,7-8,10-11,16H2,1H3
InChIKeyCINZQNFPZWEEPH-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.21
Rot. Bonds2

About 5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline

5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline (PubChem CID 79689557) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline.

Molecular Properties

Compound Name5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline
PubChem CID79689557
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline
SMILESCCc1ccc(N2CC3(CCCC3)C2)cc1N
InChIInChI=1S/C15H22N2/c1-2-12-5-6-13(9-14(12)16)17-10-15(11-17)7-3-4-8-15/h5-6,9H,2-4,7-8,10-11,16H2,1H3
InChIKeyCINZQNFPZWEEPH-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline?
The IUPAC name of 5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline (CID 79689557) is 5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline.
What is the SMILES notation for 5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline?
The canonical SMILES for 5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline is CCc1ccc(N2CC3(CCCC3)C2)cc1N.
What is the InChIKey of 5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline?
The InChIKey is CINZQNFPZWEEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-12-5-6-13(9-14(12)16)17-10-15(11-17)7-3-4-8-15/h5-6,9H,2-4,7-8,10-11,16H2,1H3.
What are the key properties of 5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline?
5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline has a molecular weight of 230.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.4]octan-2-yl)-2-ethylaniline is sourced from PubChem (CID 79689557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).