N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine

C15H23NO2S — CID 79921515

IUPACN-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccs1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H23NO2S/c1-2-16-14(13-4-3-9-19-13)12-5-7-18-15(10-12)6-8-17-11-15/h3-4,9,12,14,16H,2,5-8,10-11H2,1H3
InChIKeyXDTHKIBZPNISRZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.98
Rot. Bonds4

About N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine

N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine (PubChem CID 79921515) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
PubChem CID79921515
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccs1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H23NO2S/c1-2-16-14(13-4-3-9-19-13)12-5-7-18-15(10-12)6-8-17-11-15/h3-4,9,12,14,16H,2,5-8,10-11H2,1H3
InChIKeyXDTHKIBZPNISRZ-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017030
N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692712
N-[(3-chlorothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105012158
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170350
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
CID 79921737
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342
[1-oxaspiro[5.5]undecan-4-yl(thiophen-2-yl)methyl]hydrazine
CID 105193759
N-[1,9-dioxaspiro[5.5]undecan-4-yl-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105167535
N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
CID 79914388
N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830408
2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine
CID 116722472
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105325556

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine (CID 79921515) is N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine is CCNC(c1cccs1)C1CCOC2(CCOC2)C1.
What is the InChIKey of N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is XDTHKIBZPNISRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-16-14(13-4-3-9-19-13)12-5-7-18-15(10-12)6-8-17-11-15/h3-4,9,12,14,16H,2,5-8,10-11H2,1H3.
What are the key properties of N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine?
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 281.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 79921515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).