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

C15H24N2OS — CID 65167786

IUPAC3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCc2nccs2)C12CCCCC2
InChIInChI=1S/C15H24N2OS/c1-2-18-13-10-12(15(13)6-4-3-5-7-15)17-11-14-16-8-9-19-14/h8-9,12-13,17H,2-7,10-11H2,1H3
InChIKeyNJKWFJLJNRZIHX-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.36
Rot. Bonds5

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

3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine (PubChem CID 65167786) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine
PubChem CID65167786
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCc2nccs2)C12CCCCC2
InChIInChI=1S/C15H24N2OS/c1-2-18-13-10-12(15(13)6-4-3-5-7-15)17-11-14-16-8-9-19-14/h8-9,12-13,17H,2-7,10-11H2,1H3
InChIKeyNJKWFJLJNRZIHX-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3R)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
CID 124680812
(1S,3S)-3-ethoxy-N-(1,2-oxazol-5-ylmethyl)spiro[3.5]nonan-1-amine
CID 124680815
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[3.4]octan-1-amine
CID 103702260
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 114699252
(1S,3R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 100908270
(1R,3R)-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 100908267
3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
CID 65167746
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.3]heptan-1-amine
CID 103700293
(1S,3S)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044556
(1R,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044557
(1S,3R)-3-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]spiro[3.4]octan-1-amine
CID 97044555

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine (CID 65167786) is 3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine is CCOC1CC(NCc2nccs2)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine?
The InChIKey is NJKWFJLJNRZIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-18-13-10-12(15(13)6-4-3-5-7-15)17-11-14-16-8-9-19-14/h8-9,12-13,17H,2-7,10-11H2,1H3.
What are the key properties of 3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine?
3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine has a molecular weight of 280.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65167786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).