N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine

C17H27NOS — CID 105170153

IUPACN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H27NOS/c1-2-18-16(11-14-6-10-20-13-14)15-5-9-19-17(12-15)7-3-4-8-17/h6,10,13,15-16,18H,2-5,7-9,11-12H2,1H3
InChIKeyYKIUNKAHMYGASH-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.01
Rot. Bonds5

About N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine

N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine (PubChem CID 105170153) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine
PubChem CID105170153
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H27NOS/c1-2-18-16(11-14-6-10-20-13-14)15-5-9-19-17(12-15)7-3-4-8-17/h6,10,13,15-16,18H,2-5,7-9,11-12H2,1H3
InChIKeyYKIUNKAHMYGASH-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
CID 79908948
N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
CID 79914388
N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895083
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016797
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine
CID 79912014

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine (CID 105170153) is N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine?
The InChIKey is YKIUNKAHMYGASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-2-18-16(11-14-6-10-20-13-14)15-5-9-19-17(12-15)7-3-4-8-17/h6,10,13,15-16,18H,2-5,7-9,11-12H2,1H3.
What are the key properties of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine has a molecular weight of 293.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105170153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).