N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine

C17H27NOS — CID 66351553

IUPACN-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
SMILESCCNC1CC(OCc2cccs2)C12CCCCCC2
InChIInChI=1S/C17H27NOS/c1-2-18-15-12-16(19-13-14-8-7-11-20-14)17(15)9-5-3-4-6-10-17/h7-8,11,15-16,18H,2-6,9-10,12-13H2,1H3
InChIKeyCAZJWQJBLWYTMR-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.36
Rot. Bonds5

About N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine

N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine (PubChem CID 66351553) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
PubChem CID66351553
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
SMILESCCNC1CC(OCc2cccs2)C12CCCCCC2
InChIInChI=1S/C17H27NOS/c1-2-18-15-12-16(19-13-14-8-7-11-20-14)17(15)9-5-3-4-6-10-17/h7-8,11,15-16,18H,2-6,9-10,12-13H2,1H3
InChIKeyCAZJWQJBLWYTMR-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351117
3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
CID 65167746
3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351552
N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine
CID 66350237
3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine
CID 66351177
3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
CID 81398155
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111756591
3-cyclohexyloxy-N-ethylspiro[3.5]nonan-1-amine
CID 66358779
N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine
CID 66357172
N-ethyl-3-(4-methylphenoxy)spiro[3.4]octan-1-amine
CID 66359379
N-ethyl-3-heptoxyspiro[3.6]decan-1-amine
CID 66357419
N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
The IUPAC name of N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine (CID 66351553) is N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine is CCNC1CC(OCc2cccs2)C12CCCCCC2.
What is the InChIKey of N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
The InChIKey is CAZJWQJBLWYTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-2-18-15-12-16(19-13-14-8-7-11-20-14)17(15)9-5-3-4-6-10-17/h7-8,11,15-16,18H,2-6,9-10,12-13H2,1H3.
What are the key properties of N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66351553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).