(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride

C11H22ClNO — CID 155906111

IUPAC(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
SMILESCCO[C@H]1C[C@@H](NC)C12CCCC2.Cl
InChIInChI=1S/C11H21NO.ClH/c1-3-13-10-8-9(12-2)11(10)6-4-5-7-11;/h9-10,12H,3-8H2,1-2H3;1H/t9-,10+;/m1./s1
InChIKeyXDODVRHVVIBDSK-UXQCFNEQSA-N
MW219.76 g/mol
LogP2.37
Rot. Bonds3

About (1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride

(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride (PubChem CID 155906111) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is (1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
PubChem CID155906111
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
SMILESCCO[C@H]1C[C@@H](NC)C12CCCC2.Cl
InChIInChI=1S/C11H21NO.ClH/c1-3-13-10-8-9(12-2)11(10)6-4-5-7-11;/h9-10,12H,3-8H2,1-2H3;1H/t9-,10+;/m1./s1
InChIKeyXDODVRHVVIBDSK-UXQCFNEQSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
N-methyl-3-octoxyspiro[3.5]nonan-1-amine
CID 66356621
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
3-(2,2-difluoroethoxy)-N-methylspiro[3.6]decan-1-amine
CID 82009336
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357764
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride?
The IUPAC name of (1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride (CID 155906111) is (1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride.
What is the SMILES notation for (1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride?
The canonical SMILES for (1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride is CCO[C@H]1C[C@@H](NC)C12CCCC2.Cl.
What is the InChIKey of (1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride?
The InChIKey is XDODVRHVVIBDSK-UXQCFNEQSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-3-13-10-8-9(12-2)11(10)6-4-5-7-11;/h9-10,12H,3-8H2,1-2H3;1H/t9-,10+;/m1./s1.
What are the key properties of (1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride?
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride is sourced from PubChem (CID 155906111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).