N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine

C15H26N2S — CID 135977299

IUPACN-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESCC1CCCCC1C/N=C1/NC2(CCCC2)CS1
InChIInChI=1S/C15H26N2S/c1-12-6-2-3-7-13(12)10-16-14-17-15(11-18-14)8-4-5-9-15/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyHSLXNFODJMJANL-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.82
Rot. Bonds2

About N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine

N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine (PubChem CID 135977299) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
PubChem CID135977299
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESCC1CCCCC1C/N=C1/NC2(CCCC2)CS1
InChIInChI=1S/C15H26N2S/c1-12-6-2-3-7-13(12)10-16-14-17-15(11-18-14)8-4-5-9-15/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyHSLXNFODJMJANL-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.82
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 N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine (CID 135977299) is N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine is CC1CCCCC1C/N=C1/NC2(CCCC2)CS1.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
The InChIKey is HSLXNFODJMJANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12-6-2-3-7-13(12)10-16-14-17-15(11-18-14)8-4-5-9-15/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine?
N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine has a molecular weight of 266.45 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]-3-thia-1-azaspiro[4.4]nonan-2-imine is sourced from PubChem (CID 135977299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).