N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine

C16H30N2OS — CID 136723642

IUPACN-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCOCCC(C)(C)C/N=C1/NC2(CCCC(C)C2)CS1
InChIInChI=1S/C16H30N2OS/c1-13-6-5-7-16(10-13)12-20-14(18-16)17-11-15(2,3)8-9-19-4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyRPLFSWMHUBXROQ-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.69
Rot. Bonds5

About N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine

N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136723642) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136723642
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCOCCC(C)(C)C/N=C1/NC2(CCCC(C)C2)CS1
InChIInChI=1S/C16H30N2OS/c1-13-6-5-7-16(10-13)12-20-14(18-16)17-11-15(2,3)8-9-19-4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyRPLFSWMHUBXROQ-UHFFFAOYSA-N
XLogP3.69
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.69
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-(2-ethoxy-2-methylpropyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136954516
7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137011014
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-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136867434
N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136723649
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-(3-ethoxycyclobutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136696696
7-methyl-N-[2-(oxolan-3-yl)ethyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136857917
N-[(5-ethylthiophen-2-yl)methyl]-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136883446
7-methyl-N-(pyridazin-3-ylmethyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136703329
4-[(7-methyl-3-thia-1-azaspiro[4.5]decan-2-ylidene)amino]pyrrolidin-2-one
CID 136680007

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136723642) is N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is COCCC(C)(C)C/N=C1/NC2(CCCC(C)C2)CS1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is RPLFSWMHUBXROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-13-6-5-7-16(10-13)12-20-14(18-16)17-11-15(2,3)8-9-19-4/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 298.50 g/mol, XLogP of 3.69, 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)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136723642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).