3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine

C18H27NO2 — CID 65294383

IUPAC3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCCOc2ccccc2)C12CCC2
InChIInChI=1S/C18H27NO2/c1-2-20-17-14-16(18(17)10-6-11-18)19-12-7-13-21-15-8-4-3-5-9-15/h3-5,8-9,16-17,19H,2,6-7,10-14H2,1H3
InChIKeyLMLZGVKXFHQQSN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.39
Rot. Bonds8

About 3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine (PubChem CID 65294383) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
PubChem CID65294383
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCCCOc2ccccc2)C12CCC2
InChIInChI=1S/C18H27NO2/c1-2-20-17-14-16(18(17)10-6-11-18)19-12-7-13-21-15-8-4-3-5-9-15/h3-5,8-9,16-17,19H,2,6-7,10-14H2,1H3
InChIKeyLMLZGVKXFHQQSN-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412
N-(3-cyclohexyloxypropyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295628
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
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
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
3-ethoxy-N-[(2-fluorophenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295573
3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65294372
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propane-1-sulfonamide
CID 64865041
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine (CID 65294383) is 3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine is CCOC1CC(NCCCOc2ccccc2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine?
The InChIKey is LMLZGVKXFHQQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-20-17-14-16(18(17)10-6-11-18)19-12-7-13-21-15-8-4-3-5-9-15/h3-5,8-9,16-17,19H,2,6-7,10-14H2,1H3.
What are the key properties of 3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).