N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C13H24N2OS — CID 104763265

IUPACN-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCC(C)OCCNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C13H24N2OS/c1-11(2)16-8-7-14-12-15-9-13(10-17-12)5-3-4-6-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyWCECPUYVBLWCKZ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds4

About N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 104763265) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID104763265
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCC(C)OCCNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C13H24N2OS/c1-11(2)16-8-7-14-12-15-9-13(10-17-12)5-3-4-6-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyWCECPUYVBLWCKZ-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

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105916872
5-(2,2-dimethylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154414
N-[2-(2,2-difluoroethoxy)ethyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 114128337
N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361647
N-(2-methyloxolan-3-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82728644
N-(3-propoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 82943872
N-(2-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 102699428
N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967818
N-(2-cyclopentyloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967899
N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 104763254
5-cyclopropyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 104763264

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 104763265) is N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is CC(C)OCCNC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is WCECPUYVBLWCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-11(2)16-8-7-14-12-15-9-13(10-17-12)5-3-4-6-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(2-propan-2-yloxyethyl)-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-(2-propan-2-yloxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 104763265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).