N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine

C15H28N2OS — CID 136954516

IUPACN-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCOC(C)(C)C/N=C1/NC2(CCCC(C)C2)CS1
InChIInChI=1S/C15H28N2OS/c1-5-18-14(3,4)10-16-13-17-15(11-19-13)8-6-7-12(2)9-15/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyGMBRAXNLDAAUGH-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.44
Rot. Bonds4

About N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine

N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136954516) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136954516
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCOC(C)(C)C/N=C1/NC2(CCCC(C)C2)CS1
InChIInChI=1S/C15H28N2OS/c1-5-18-14(3,4)10-16-13-17-15(11-19-13)8-6-7-12(2)9-15/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyGMBRAXNLDAAUGH-UHFFFAOYSA-N
XLogP3.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137011014
N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723642
N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136954513
N-(3-ethoxycyclobutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696696
7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136867434
7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136930287
7-methyl-N-(oxan-4-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998387
N-[(5-ethylthiophen-2-yl)methyl]-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136883446
N,N-dimethyl-2-[2-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]ethanamine
CID 136896914
7-methyl-N-[2-(oxolan-3-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136857917
7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136703329
N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762643

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136954516) is N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is CCOC(C)(C)C/N=C1/NC2(CCCC(C)C2)CS1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is GMBRAXNLDAAUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-5-18-14(3,4)10-16-13-17-15(11-19-13)8-6-7-12(2)9-15/h12H,5-11H2,1-4H3,(H,16,17).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 284.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136954516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).