N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine

C16H31NOS — CID 79912014

IUPACN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NOS/c1-3-11-19-13-15(17-4-2)14-7-10-18-16(12-14)8-5-6-9-16/h14-15,17H,3-13H2,1-2H3
InChIKeyPSYWHSSTHLVHIJ-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.85
Rot. Bonds7

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

N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine (PubChem CID 79912014) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine
PubChem CID79912014
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC NameN-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NOS/c1-3-11-19-13-15(17-4-2)14-7-10-18-16(12-14)8-5-6-9-16/h14-15,17H,3-13H2,1-2H3
InChIKeyPSYWHSSTHLVHIJ-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
1-(5-oxaspiro[3.5]nonan-8-yl)-2-propylsulfanylethanol
CID 79921106
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
N-ethyl-1-(oxan-4-yl)-2-propylsulfanylethanamine
CID 65129097
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105016797
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911407
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105169801

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine (CID 79912014) is N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine is CCCSCC(NCC)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine?
The InChIKey is PSYWHSSTHLVHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-3-11-19-13-15(17-4-2)14-7-10-18-16(12-14)8-5-6-9-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine?
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine has a molecular weight of 285.50 g/mol, XLogP of 3.85, 7 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-propylsulfanylethanamine is sourced from PubChem (CID 79912014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).