3-ethoxy-N-octylspiro[3.4]octan-1-amine

C18H35NO — CID 115567181

IUPAC3-ethoxy-N-octylspiro[3.4]octan-1-amine
SMILESCCCCCCCCNC1CC(OCC)C12CCCC2
InChIInChI=1S/C18H35NO/c1-3-5-6-7-8-11-14-19-16-15-17(20-4-2)18(16)12-9-10-13-18/h16-17,19H,3-15H2,1-2H3
InChIKeyGZZGSABVAKMDDK-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.67
Rot. Bonds10

About 3-ethoxy-N-octylspiro[3.4]octan-1-amine

3-ethoxy-N-octylspiro[3.4]octan-1-amine (PubChem CID 115567181) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 3-ethoxy-N-octylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-octylspiro[3.4]octan-1-amine
PubChem CID115567181
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name3-ethoxy-N-octylspiro[3.4]octan-1-amine
SMILESCCCCCCCCNC1CC(OCC)C12CCCC2
InChIInChI=1S/C18H35NO/c1-3-5-6-7-8-11-14-19-16-15-17(20-4-2)18(16)12-9-10-13-18/h16-17,19H,3-15H2,1-2H3
InChIKeyGZZGSABVAKMDDK-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041
N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864059
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295628
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N',N'-diethylpropane-1,3-diamine
CID 65295475
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-octylspiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-octylspiro[3.4]octan-1-amine (CID 115567181) is 3-ethoxy-N-octylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-octylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-octylspiro[3.4]octan-1-amine is CCCCCCCCNC1CC(OCC)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-octylspiro[3.4]octan-1-amine?
The InChIKey is GZZGSABVAKMDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-5-6-7-8-11-14-19-16-15-17(20-4-2)18(16)12-9-10-13-18/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 3-ethoxy-N-octylspiro[3.4]octan-1-amine?
3-ethoxy-N-octylspiro[3.4]octan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-octylspiro[3.4]octan-1-amine is sourced from PubChem (CID 115567181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).