N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine

C16H25NOS — CID 79914388

IUPACN-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H25NOS/c1-2-17-15(11-14-5-3-10-19-14)13-6-9-18-16(12-13)7-4-8-16/h3,5,10,13,15,17H,2,4,6-9,11-12H2,1H3
InChIKeyRNOLHNJLFKPKHD-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.62
Rot. Bonds5

About N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine

N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine (PubChem CID 79914388) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
PubChem CID79914388
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H25NOS/c1-2-17-15(11-14-5-3-10-19-14)13-6-9-18-16(12-13)7-4-8-16/h3,5,10,13,15,17H,2,4,6-9,11-12H2,1H3
InChIKeyRNOLHNJLFKPKHD-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-thiophen-3-ylethanamine
CID 105170153
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-4-ylethanamine
CID 79908948
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 65389654
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
N-ethyl-1-(2-methylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179496
N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103559593
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine (CID 79914388) is N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine?
The InChIKey is RNOLHNJLFKPKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-2-17-15(11-14-5-3-10-19-14)13-6-9-18-16(12-13)7-4-8-16/h3,5,10,13,15,17H,2,4,6-9,11-12H2,1H3.
What are the key properties of N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine?
N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine has a molecular weight of 279.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79914388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).