N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C14H26N2S — CID 103967531

IUPACN-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(C)C(C)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2S/c1-11(2)12(3)16-13-15-9-14(10-17-13)7-5-4-6-8-14/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyANAGRTAVQWMZAL-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.67
Rot. Bonds2

About N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967531) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967531
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(C)C(C)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2S/c1-11(2)12(3)16-13-15-9-14(10-17-13)7-5-4-6-8-14/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyANAGRTAVQWMZAL-UHFFFAOYSA-N
XLogP3.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3792463
N1-(1,3-thiazolan-2-yliden)-3,3,5-trimethylcyclohexan-1-amine
CID 2731009
N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 5018374
2-Thiazoline, 2-((cyclohexylmethyl)amino)-
CID 3055296
5-methyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2999911
N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967876
N-(2,2-difluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968008
N-(4,4,4-trifluorobutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968009
N-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
N-(4,4,4-trifluorobutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105943244
N-(4,4,4-trifluorobutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 114179099
N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 140539591

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967531) is N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC(C)C(C)NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is ANAGRTAVQWMZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11(2)12(3)16-13-15-9-14(10-17-13)7-5-4-6-8-14/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 254.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).