1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C11H21N3S — CID 79498235

IUPAC1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCCSC2
InChIInChI=1S/C11H21N3S/c1-9(2)6-14-10(12)13-7-11(14)4-3-5-15-8-11/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyHBJCPALTJIJYTA-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.54
Rot. Bonds2

About 1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498235) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498235
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCCSC2
InChIInChI=1S/C11H21N3S/c1-9(2)6-14-10(12)13-7-11(14)4-3-5-15-8-11/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyHBJCPALTJIJYTA-UHFFFAOYSA-N
XLogP1.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498235) is 1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)CN1C(N)=NCC12CCCSC2.
What is the InChIKey of 1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is HBJCPALTJIJYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9(2)6-14-10(12)13-7-11(14)4-3-5-15-8-11/h9H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 227.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).