3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine

C19H29NO — CID 64864412

IUPAC3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCCc2ccccc2)C12CCCC2
InChIInChI=1S/C19H29NO/c1-2-21-18-15-17(19(18)12-6-7-13-19)20-14-8-11-16-9-4-3-5-10-16/h3-5,9-10,17-18,20H,2,6-8,11-15H2,1H3
InChIKeyLJLPLTFJSOSFNH-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.95
Rot. Bonds7

About 3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine

3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine (PubChem CID 64864412) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
PubChem CID64864412
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCCc2ccccc2)C12CCCC2
InChIInChI=1S/C19H29NO/c1-2-21-18-15-17(19(18)12-6-7-13-19)20-14-8-11-16-9-4-3-5-10-16/h3-5,9-10,17-18,20H,2,6-8,11-15H2,1H3
InChIKeyLJLPLTFJSOSFNH-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.95
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-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
CID 65167746
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
CID 95971660
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
3-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.5]nonan-1-amine
CID 80685329
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
3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294565

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine (CID 64864412) is 3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine is CCOC1CC(NCCCc2ccccc2)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine?
The InChIKey is LJLPLTFJSOSFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-21-18-15-17(19(18)12-6-7-13-19)20-14-8-11-16-9-4-3-5-10-16/h3-5,9-10,17-18,20H,2,6-8,11-15H2,1H3.
What are the key properties of 3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 64864412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).