1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C13H26N4S — CID 79957258

IUPAC1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCCN(CC)CCN1C(N)=NCC12CSC(C)C2
InChIInChI=1S/C13H26N4S/c1-4-16(5-2)6-7-17-12(14)15-9-13(17)8-11(3)18-10-13/h11H,4-10H2,1-3H3,(H2,14,15)
InChIKeyBOXUTJZBZXXIFD-UHFFFAOYSA-N
MW270.45 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79957258) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79957258
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC Name1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCCN(CC)CCN1C(N)=NCC12CSC(C)C2
InChIInChI=1S/C13H26N4S/c1-4-16(5-2)6-7-17-12(14)15-9-13(17)8-11(3)18-10-13/h11H,4-10H2,1-3H3,(H2,14,15)
InChIKeyBOXUTJZBZXXIFD-UHFFFAOYSA-N
XLogP1.22
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(Dimethylamino)ethyl]-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497060
1-[2-(Dimethylamino)ethyl]-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497827
1-Propan-2-yl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498187
1-(2-Methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498230
1-(2-Methylpropyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498235
1-(2-Methylpropyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498244
1-Propan-2-yl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498284
1-Propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498660
1-Cycloheptyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498875
1-[2-(Dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498913
1-Butan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79505770
1-Propyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509309

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79957258) is 1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is CCN(CC)CCN1C(N)=NCC12CSC(C)C2.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is BOXUTJZBZXXIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-4-16(5-2)6-7-17-12(14)15-9-13(17)8-11(3)18-10-13/h11H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 270.45 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79957258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).