N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C16H30N2S — CID 65038584

IUPACN-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCCC(CC)(CC)NC1=NC2(CCCC(C)C2)CS1
InChIInChI=1S/C16H30N2S/c1-5-15(6-2,7-3)17-14-18-16(12-19-14)10-8-9-13(4)11-16/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyPEQUPONDFIUTLY-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.60
Rot. Bonds4

About N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 65038584) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID65038584
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCCC(CC)(CC)NC1=NC2(CCCC(C)C2)CS1
InChIInChI=1S/C16H30N2S/c1-5-15(6-2,7-3)17-14-18-16(12-19-14)10-8-9-13(4)11-16/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyPEQUPONDFIUTLY-UHFFFAOYSA-N
XLogP4.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-N-(4-propylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526955
N-(4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525557
N-(3,4-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526771
4-N,4-N-dimethyl-1-N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,4-diamine
CID 62527313
N-(3-fluoro-4-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527302
N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527307
N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527844
7-methyl-N-(3-propan-2-ylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527659
7-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62902870
N-(2-chlorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525559
N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525914
N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527301

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 65038584) is N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is CCC(CC)(CC)NC1=NC2(CCCC(C)C2)CS1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is PEQUPONDFIUTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-5-15(6-2,7-3)17-14-18-16(12-19-14)10-8-9-13(4)11-16/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 65038584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).