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

C11H21NO — CID 95241163

IUPAC(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
SMILESCCO[C@@H]1C[C@H](NC)C12CCCC2
InChIInChI=1S/C11H21NO/c1-3-13-10-8-9(12-2)11(10)6-4-5-7-11/h9-10,12H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyJWOJVXYJLYKMRD-VHSXEESVSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds3

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

(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine (PubChem CID 95241163) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
PubChem CID95241163
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
SMILESCCO[C@@H]1C[C@H](NC)C12CCCC2
InChIInChI=1S/C11H21NO/c1-3-13-10-8-9(12-2)11(10)6-4-5-7-11/h9-10,12H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyJWOJVXYJLYKMRD-VHSXEESVSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
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-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357764
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 (1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine?
The IUPAC name of (1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine (CID 95241163) is (1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine.
What is the SMILES notation for (1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine?
The canonical SMILES for (1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine is CCO[C@@H]1C[C@H](NC)C12CCCC2.
What is the InChIKey of (1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine?
The InChIKey is JWOJVXYJLYKMRD-VHSXEESVSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-13-10-8-9(12-2)11(10)6-4-5-7-11/h9-10,12H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine?
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine is sourced from PubChem (CID 95241163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).