N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine

C15H28N2OS — CID 136723647

IUPACN-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCOCCC(C)(C)C/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C15H28N2OS/c1-14(2,9-10-18-3)11-16-13-17-15(12-19-13)7-5-4-6-8-15/h4-12H2,1-3H3,(H,16,17)
InChIKeyTVPLLVXBTJOGDW-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.44
Rot. Bonds5

About N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine

N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136723647) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136723647
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCOCCC(C)(C)C/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C15H28N2OS/c1-14(2,9-10-18-3)11-16-13-17-15(12-19-13)7-5-4-6-8-15/h4-12H2,1-3H3,(H,16,17)
InChIKeyTVPLLVXBTJOGDW-UHFFFAOYSA-N
XLogP3.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-(4-methoxy-2,2-dimethylbutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730441
N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723642
N-(2-methoxyethyl)-2-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)acetamide
CID 136748271
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136817724
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135977348
N,2,2-trimethyl-3-(3-thia-1-azaspiro[4.4]nonan-2-ylideneamino)propanamide
CID 136817713
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136713462
N-(3-methylpentan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 135977178
N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136723649
N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730382

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136723647) is N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine is COCCC(C)(C)C/N=C1/NC2(CCCCC2)CS1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is TVPLLVXBTJOGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-14(2,9-10-18-3)11-16-13-17-15(12-19-13)7-5-4-6-8-15/h4-12H2,1-3H3,(H,16,17).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 284.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136723647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).