N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine

C17H27NO2S — CID 105017030

IUPACN-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H27NO2S/c1-4-18-16(15-9-12(2)13(3)21-15)14-5-7-20-17(10-14)6-8-19-11-17/h9,14,16,18H,4-8,10-11H2,1-3H3
InChIKeyWSZFCFRNKMPIKU-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.60
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine

N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine (PubChem CID 105017030) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
PubChem CID105017030
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)s1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H27NO2S/c1-4-18-16(15-9-12(2)13(3)21-15)14-5-7-20-17(10-14)6-8-19-11-17/h9,14,16,18H,4-8,10-11H2,1-3H3
InChIKeyWSZFCFRNKMPIKU-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016723
[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323230
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515
[(4,5-dimethylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325420
[(4,5-dimethylthiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105325176
N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692712
N-[(4,5-dibromothiophen-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010368
N-[1,9-dioxaspiro[5.5]undecan-4-yl-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105167535
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105016956
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105325556
N-[(4-methoxythiophen-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010344

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine (CID 105017030) is N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine is CCNC(c1cc(C)c(C)s1)C1CCOC2(CCOC2)C1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The InChIKey is WSZFCFRNKMPIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-18-16(15-9-12(2)13(3)21-15)14-5-7-20-17(10-14)6-8-19-11-17/h9,14,16,18H,4-8,10-11H2,1-3H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine?
N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine has a molecular weight of 309.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine is sourced from PubChem (CID 105017030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).