2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine

C13H26N2O — CID 129495865

IUPAC2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
SMILESCCOC[C@H]1CN(CCN)CC12CCCC2
InChIInChI=1S/C13H26N2O/c1-2-16-10-12-9-15(8-7-14)11-13(12)5-3-4-6-13/h12H,2-11,14H2,1H3/t12-/m1/s1
InChIKeyCGYXYSFICACJFO-GFCCVEGCSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds5

About 2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine

2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine (PubChem CID 129495865) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
PubChem CID129495865
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
SMILESCCOC[C@H]1CN(CCN)CC12CCCC2
InChIInChI=1S/C13H26N2O/c1-2-16-10-12-9-15(8-7-14)11-13(12)5-3-4-6-13/h12H,2-11,14H2,1H3/t12-/m1/s1
InChIKeyCGYXYSFICACJFO-GFCCVEGCSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol
CID 129497219
2-[4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-yl]ethanamine
CID 121202779
3-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-amine
CID 121204411
2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
CID 129322519
1-[(8R)-8-(ethoxymethyl)-6-azaspiro[3.4]octan-6-yl]-2-(methylamino)ethanone
CID 129497432
2-[3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
CID 121202697
(4R)-8-cyclobutyl-4-(cyclopropylmethoxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane
CID 124797230
8-cyclobutyl-4-(cyclopropylmethoxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane
CID 131655364
4-(ethoxymethyl)-3,3-dimethylpyrrolidin-1-amine
CID 121202795
2-(3-ethoxy-3-methylazetidin-1-yl)ethanamine
CID 131227820
2-(ethoxymethyl)-1,1-dimethylcyclopentane
CID 91066483
[2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol
CID 121202806

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine?
The IUPAC name of 2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine (CID 129495865) is 2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine.
What is the SMILES notation for 2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine?
The canonical SMILES for 2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine is CCOC[C@H]1CN(CCN)CC12CCCC2.
What is the InChIKey of 2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine?
The InChIKey is CGYXYSFICACJFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-16-10-12-9-15(8-7-14)11-13(12)5-3-4-6-13/h12H,2-11,14H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine?
2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(ethoxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine is sourced from PubChem (CID 129495865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).