N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

C15H28N2OS — CID 136819558

IUPACN-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCCCCCC(C)/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C15H28N2OS/c1-3-4-5-6-7-13(2)16-14-17-15(12-19-14)8-10-18-11-9-15/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyDDWRTXXSYZQQFA-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.59
Rot. Bonds6

About N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136819558) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136819558
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCCCCCC(C)/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C15H28N2OS/c1-3-4-5-6-7-13(2)16-14-17-15(12-19-14)8-10-18-11-9-15/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyDDWRTXXSYZQQFA-UHFFFAOYSA-N
XLogP3.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819771
N-(1-cyclopropylbutan-2-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819704
methyl 2-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanoate
CID 137003252
N-(4-propan-2-yloxybutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730458
N-[1-(2,4-dichlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819437
N-(3-ethoxypropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819488
N-(2,2-dimethylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819626
N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730382
N-[(1-methylpiperidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819605
N-[(2-methylcyclopentyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730395
4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine
CID 136731516
N-(4-methoxy-2,2-dimethylbutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730441

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136819558) is N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CCCCCCC(C)/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is DDWRTXXSYZQQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-3-4-5-6-7-13(2)16-14-17-15(12-19-14)8-10-18-11-9-15/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 284.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136819558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).