N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

C14H26N2OS — CID 136819771

IUPACN-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC(C)CCCC/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-12(2)5-3-4-8-15-13-16-14(11-18-13)6-9-17-10-7-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyYGYQCLHDMKODLU-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.05
Rot. Bonds5

About N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136819771) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136819771
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC(C)CCCC/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-12(2)5-3-4-8-15-13-16-14(11-18-13)6-9-17-10-7-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyYGYQCLHDMKODLU-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.05
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-[3-(2-methylpropoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730403
N-(4-propan-2-yloxybutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730458
N-(3-ethoxypropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819488
N-octan-2-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819558
N-pentan-3-yl-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819447
N-methyl-N-[1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]cyclopropanamine
CID 136730454
N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137003296
N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819509
N-[2-(1-methylpyrazol-3-yl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730469
N-[2-(4-methylpyrazol-1-yl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730450
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

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136819771) is N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is CC(C)CCCC/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is YGYQCLHDMKODLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12(2)5-3-4-8-15-13-16-14(11-18-13)6-9-17-10-7-14/h12H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 270.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136819771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).