3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine

C17H25NO2 — CID 65295079

IUPAC3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
SMILESCCOc1ccc(NC2CC(OCC)C23CCC3)cc1
InChIInChI=1S/C17H25NO2/c1-3-19-14-8-6-13(7-9-14)18-15-12-16(20-4-2)17(15)10-5-11-17/h6-9,15-16,18H,3-5,10-12H2,1-2H3
InChIKeyHYNIBWFHWBGTEF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.84
Rot. Bonds6

About 3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine (PubChem CID 65295079) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
PubChem CID65295079
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
SMILESCCOc1ccc(NC2CC(OCC)C23CCC3)cc1
InChIInChI=1S/C17H25NO2/c1-3-19-14-8-6-13(7-9-14)18-15-12-16(20-4-2)17(15)10-5-11-17/h6-9,15-16,18H,3-5,10-12H2,1-2H3
InChIKeyHYNIBWFHWBGTEF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65294372
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide
CID 124570805
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295443
5-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65295488
(1R,3S)-3-ethoxy-N-(4-nitrophenyl)spiro[3.4]octan-1-amine
CID 97044550
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1H-indazol-5-amine
CID 65295489
N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine
CID 65294575
N-(3-ethoxyspiro[3.5]nonan-1-yl)thiophen-3-amine
CID 66352329

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine (CID 65295079) is 3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine is CCOc1ccc(NC2CC(OCC)C23CCC3)cc1.
What is the InChIKey of 3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine?
The InChIKey is HYNIBWFHWBGTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-19-14-8-6-13(7-9-14)18-15-12-16(20-4-2)17(15)10-5-11-17/h6-9,15-16,18H,3-5,10-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(4-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-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).