4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine

C17H25N3S — CID 137314463

IUPAC4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
SMILESCC1CCC2(CC1)S/C(=N\Cc1cccnc1)NC2(C)C
InChIInChI=1S/C17H25N3S/c1-13-6-8-17(9-7-13)16(2,3)20-15(21-17)19-12-14-5-4-10-18-11-14/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,19,20)
InChIKeyNICUBYQLLJDUNN-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.00
Rot. Bonds2

About 4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine

4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine (PubChem CID 137314463) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound Name4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
PubChem CID137314463
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
SMILESCC1CCC2(CC1)S/C(=N\Cc1cccnc1)NC2(C)C
InChIInChI=1S/C17H25N3S/c1-13-6-8-17(9-7-13)16(2,3)20-15(21-17)19-12-14-5-4-10-18-11-14/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,19,20)
InChIKeyNICUBYQLLJDUNN-UHFFFAOYSA-N
XLogP4.00
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.00
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

4,4,8-trimethyl-N-(2-pyridin-3-ylethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
CID 137303194
4,4,8-trimethyl-N-(2-pyridin-2-ylethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
CID 137289816
4,4,8-trimethyl-N-(pyridin-4-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
CID 137289936
4,4,8-trimethyl-N-(pyridin-2-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
CID 137317362
3-methyl-N-[2-[(4,4,8-trimethyl-1-thia-3-azaspiro[4.5]decan-2-ylidene)amino]ethyl]pyridin-2-amine
CID 137316360
4,4,8-trimethyl-N-(2-pyridin-4-ylethyl)-1-thia-3-azaspiro[4.5]decan-2-imine
CID 137317496
5,5-dimethyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 935285
2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine
CID 3045822
3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine
CID 3058142
N-[1-(4-fluorophenyl)ethyl]-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 13535619
methyl N'-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]carbamimidothioate
CID 15616801
N-[1-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 44198724

Frequently Asked Questions

What is the IUPAC name of 4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine?
The IUPAC name of 4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine (CID 137314463) is 4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for 4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine?
The canonical SMILES for 4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine is CC1CCC2(CC1)S/C(=N\Cc1cccnc1)NC2(C)C.
What is the InChIKey of 4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine?
The InChIKey is NICUBYQLLJDUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-13-6-8-17(9-7-13)16(2,3)20-15(21-17)19-12-14-5-4-10-18-11-14/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,19,20).
What are the key properties of 4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine?
4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine has a molecular weight of 303.47 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8-trimethyl-N-(pyridin-3-ylmethyl)-1-thia-3-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 137314463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).