(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine

C10H19NO — CID 95566836

IUPAC(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCO[C@H]1C[C@@H](N)C12CCCC2
InChIInChI=1S/C10H19NO/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9H,2-7,11H2,1H3/t8-,9+/m1/s1
InChIKeyXTYJBOSOXNCQDY-BDAKNGLRSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds2

About (1R,3S)-3-ethoxyspiro[3.4]octan-1-amine

(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 95566836) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1R,3S)-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID95566836
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCO[C@H]1C[C@@H](N)C12CCCC2
InChIInChI=1S/C10H19NO/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9H,2-7,11H2,1H3/t8-,9+/m1/s1
InChIKeyXTYJBOSOXNCQDY-BDAKNGLRSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-ethoxyspiro[3.4]octane
CID 66346132
3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
CID 66357984
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494
3-methoxyspiro[3.4]octan-1-amine
CID 66357973
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357564
3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine
CID 114249127
(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
CID 99774644
(1S,3R,4S)-3-ethoxy-5-oxaspiro[3.4]octan-1-amine
CID 97184743
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine
CID 103408106

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of (1R,3S)-3-ethoxyspiro[3.4]octan-1-amine (CID 95566836) is (1R,3S)-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for (1R,3S)-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for (1R,3S)-3-ethoxyspiro[3.4]octan-1-amine is CCO[C@H]1C[C@@H](N)C12CCCC2.
What is the InChIKey of (1R,3S)-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is XTYJBOSOXNCQDY-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9H,2-7,11H2,1H3/t8-,9+/m1/s1.
What are the key properties of (1R,3S)-3-ethoxyspiro[3.4]octan-1-amine?
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 95566836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).