N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine

C17H30N2OS — CID 136696683

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCOC1CC(/N=C2/NC3(CCC(C)CC3)CS2)C1(C)C
InChIInChI=1S/C17H30N2OS/c1-5-20-14-10-13(16(14,3)4)18-15-19-17(11-21-15)8-6-12(2)7-9-17/h12-14H,5-11H2,1-4H3,(H,18,19)
InChIKeyVRZNITTVQWVHLA-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.83
Rot. Bonds3

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136696683) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136696683
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCOC1CC(/N=C2/NC3(CCC(C)CC3)CS2)C1(C)C
InChIInChI=1S/C17H30N2OS/c1-5-20-14-10-13(16(14,3)4)18-15-19-17(11-21-15)8-6-12(2)7-9-17/h12-14H,5-11H2,1-4H3,(H,18,19)
InChIKeyVRZNITTVQWVHLA-UHFFFAOYSA-N
XLogP3.83
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.83
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

N-(3-methoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696672
N-(3-ethoxycyclobutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696696
N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762643
N-(1,3-dimethylpiperidin-4-yl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136929330
8-methyl-N-[(2-methyloxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136905813
2-[2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]ethoxy]acetamide
CID 136805738
N-(3-methoxycyclopentyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 136964224
4-[[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803572
2-[(8-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]-N-propan-2-ylpropanamide
CID 136829995
N-(3-methylcyclohexyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819501
N-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136954516
8-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136908765

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136696683) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is CCOC1CC(/N=C2/NC3(CCC(C)CC3)CS2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is VRZNITTVQWVHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-5-20-14-10-13(16(14,3)4)18-15-19-17(11-21-15)8-6-12(2)7-9-17/h12-14H,5-11H2,1-4H3,(H,18,19).
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 310.51 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136696683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).