N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C12H20N2S — CID 115361544

IUPACN-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCC1CC1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C12H20N2S/c1-9-6-10(9)14-11-13-7-12(8-15-11)4-2-3-5-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyAIESGPLPKKTPIP-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.65
Rot. Bonds1

About N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 115361544) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID115361544
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCC1CC1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C12H20N2S/c1-9-6-10(9)14-11-13-7-12(8-15-11)4-2-3-5-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyAIESGPLPKKTPIP-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 115361544) is N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is CC1CC1NC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is AIESGPLPKKTPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-6-10(9)14-11-13-7-12(8-15-11)4-2-3-5-12/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 224.37 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 115361544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).