1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine

C14H27NO2S — CID 79911677

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H27NO2S/c1-11(2)18-10-13(15)12-3-6-17-14(9-12)4-7-16-8-5-14/h11-13H,3-10,15H2,1-2H3
InChIKeyGBJLMGQYPOUMAJ-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.43
Rot. Bonds4

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine (PubChem CID 79911677) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
PubChem CID79911677
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H27NO2S/c1-11(2)18-10-13(15)12-3-6-17-14(9-12)4-7-16-8-5-14/h11-13H,3-10,15H2,1-2H3
InChIKeyGBJLMGQYPOUMAJ-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine
CID 79911409
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(oxan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65131354
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
CID 79908712
[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226279
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79905784

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine (CID 79911677) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine is CC(C)SCC(N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is GBJLMGQYPOUMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-11(2)18-10-13(15)12-3-6-17-14(9-12)4-7-16-8-5-14/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 273.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 79911677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).