7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine

C16H28N2S — CID 136867434

IUPAC7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC2(CS/C(=N\CC3CCCC3C)N2)C1
InChIInChI=1S/C16H28N2S/c1-12-5-4-8-16(9-12)11-19-15(18-16)17-10-14-7-3-6-13(14)2/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyPCKDEEWDOHYZLA-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.06
Rot. Bonds2

About 7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine

7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136867434) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound Name7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136867434
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC2(CS/C(=N\CC3CCCC3C)N2)C1
InChIInChI=1S/C16H28N2S/c1-12-5-4-8-16(9-12)11-19-15(18-16)17-10-14-7-3-6-13(14)2/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyPCKDEEWDOHYZLA-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of 7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136867434) is 7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for 7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for 7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine is CC1CCCC2(CS/C(=N\CC3CCCC3C)N2)C1.
What is the InChIKey of 7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is PCKDEEWDOHYZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12-5-4-8-16(9-12)11-19-15(18-16)17-10-14-7-3-6-13(14)2/h12-14H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine?
7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 280.48 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(2-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136867434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).