(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine

C15H24N2O2 — CID 124680812

IUPAC(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
SMILESCCO[C@@H]1C[C@@H](NCc2ccno2)C12CCCCC2
InChIInChI=1S/C15H24N2O2/c1-2-18-14-10-13(15(14)7-4-3-5-8-15)16-11-12-6-9-17-19-12/h6,9,13-14,16H,2-5,7-8,10-11H2,1H3/t13-,14-/m1/s1
InChIKeyCQBGIHRBXMSRDT-ZIAGYGMSSA-N
MW264.37 g/mol
LogP2.89
Rot. Bonds5

About (1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine

(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine (PubChem CID 124680812) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
PubChem CID124680812
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
SMILESCCO[C@@H]1C[C@@H](NCc2ccno2)C12CCCCC2
InChIInChI=1S/C15H24N2O2/c1-2-18-14-10-13(15(14)7-4-3-5-8-15)16-11-12-6-9-17-19-12/h6,9,13-14,16H,2-5,7-8,10-11H2,1H3/t13-,14-/m1/s1
InChIKeyCQBGIHRBXMSRDT-ZIAGYGMSSA-N
XLogP2.89
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,3S)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
CID 124680815
3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine
CID 64865229
3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine
CID 65167786
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine
CID 103702260
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 114699252
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
CID 95971660
3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 82732874
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.3]heptan-1-amine
CID 103700293
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
3-ethoxy-N-[(2-fluorophenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295573
3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]spiro[3.4]octan-1-amine
CID 106395151

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine?
The IUPAC name of (1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine (CID 124680812) is (1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for (1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine?
The canonical SMILES for (1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine is CCO[C@@H]1C[C@@H](NCc2ccno2)C12CCCCC2.
What is the InChIKey of (1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine?
The InChIKey is CQBGIHRBXMSRDT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-18-14-10-13(15(14)7-4-3-5-8-15)16-11-12-6-9-17-19-12/h6,9,13-14,16H,2-5,7-8,10-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of (1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine?
(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 124680812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).