N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine

C16H26N2S — CID 114819099

IUPACN-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine
SMILESCCNC1(c2nc(C)cs2)CCC2(CCCC2)CC1
InChIInChI=1S/C16H26N2S/c1-3-17-16(14-18-13(2)12-19-14)10-8-15(9-11-16)6-4-5-7-15/h12,17H,3-11H2,1-2H3
InChIKeyVEWSODOMZWWFKW-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.39
Rot. Bonds3

About N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine

N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine (PubChem CID 114819099) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine
PubChem CID114819099
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine
SMILESCCNC1(c2nc(C)cs2)CCC2(CCCC2)CC1
InChIInChI=1S/C16H26N2S/c1-3-17-16(14-18-13(2)12-19-14)10-8-15(9-11-16)6-4-5-7-15/h12,17H,3-11H2,1-2H3
InChIKeyVEWSODOMZWWFKW-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine?
The IUPAC name of N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine (CID 114819099) is N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine is CCNC1(c2nc(C)cs2)CCC2(CCCC2)CC1.
What is the InChIKey of N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine?
The InChIKey is VEWSODOMZWWFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-17-16(14-18-13(2)12-19-14)10-8-15(9-11-16)6-4-5-7-15/h12,17H,3-11H2,1-2H3.
What are the key properties of N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine?
N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine has a molecular weight of 278.46 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114819099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).