N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C13H24N2OS — CID 115361452

IUPACN-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCCOCC(C)NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C13H24N2OS/c1-3-16-8-11(2)15-12-14-9-13(10-17-12)6-4-5-7-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyRTVDFTBGUHHRMY-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds4

About N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 115361452) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID115361452
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCCOCC(C)NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C13H24N2OS/c1-3-16-8-11(2)15-12-14-9-13(10-17-12)6-4-5-7-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyRTVDFTBGUHHRMY-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 115361452) is N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is CCOCC(C)NC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is RTVDFTBGUHHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-16-8-11(2)15-12-14-9-13(10-17-12)6-4-5-7-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 256.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 115361452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).