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

C17H25NO2 — CID 65294372

IUPAC3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
SMILESCCOc1cccc(NC2CC(OCC)C23CCC3)c1
InChIInChI=1S/C17H25NO2/c1-3-19-14-8-5-7-13(11-14)18-15-12-16(20-4-2)17(15)9-6-10-17/h5,7-8,11,15-16,18H,3-4,6,9-10,12H2,1-2H3
InChIKeyWWDMBOLGIHDFGH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.84
Rot. Bonds6

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

3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine (PubChem CID 65294372) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
PubChem CID65294372
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
SMILESCCOc1cccc(NC2CC(OCC)C23CCC3)c1
InChIInChI=1S/C17H25NO2/c1-3-19-14-8-5-7-13(11-14)18-15-12-16(20-4-2)17(15)9-6-10-17/h5,7-8,11,15-16,18H,3-4,6,9-10,12H2,1-2H3
InChIKeyWWDMBOLGIHDFGH-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
CID 65295135
3-ethoxy-N-(3-iodophenyl)spiro[3.4]octan-1-amine
CID 64864037
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol
CID 65167993
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295482
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295443
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine
CID 65294575
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyridin-3-amine
CID 65170359
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65295488
3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294565
2-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenoxy]acetonitrile
CID 64852502

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine (CID 65294372) is 3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine is CCOc1cccc(NC2CC(OCC)C23CCC3)c1.
What is the InChIKey of 3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine?
The InChIKey is WWDMBOLGIHDFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-19-14-8-5-7-13(11-14)18-15-12-16(20-4-2)17(15)9-6-10-17/h5,7-8,11,15-16,18H,3-4,6,9-10,12H2,1-2H3.
What are the key properties of 3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).