5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine

C11H15N3S — CID 79521836

IUPAC5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESNC1=NCC2(CCC2)N1Cc1cccs1
InChIInChI=1S/C11H15N3S/c12-10-13-8-11(4-2-5-11)14(10)7-9-3-1-6-15-9/h1,3,6H,2,4-5,7-8H2,(H2,12,13)
InChIKeyBARKWLCMCIROMA-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.80
Rot. Bonds2

About 5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine

5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine (PubChem CID 79521836) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine.

Molecular Properties

Compound Name5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
PubChem CID79521836
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESNC1=NCC2(CCC2)N1Cc1cccs1
InChIInChI=1S/C11H15N3S/c12-10-13-8-11(4-2-5-11)14(10)7-9-3-1-6-15-9/h1,3,6H,2,4-5,7-8H2,(H2,12,13)
InChIKeyBARKWLCMCIROMA-UHFFFAOYSA-N
XLogP1.80
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The IUPAC name of 5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine (CID 79521836) is 5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine.
What is the SMILES notation for 5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The canonical SMILES for 5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine is NC1=NCC2(CCC2)N1Cc1cccs1.
What is the InChIKey of 5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The InChIKey is BARKWLCMCIROMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c12-10-13-8-11(4-2-5-11)14(10)7-9-3-1-6-15-9/h1,3,6H,2,4-5,7-8H2,(H2,12,13).
What are the key properties of 5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine has a molecular weight of 221.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine is sourced from PubChem (CID 79521836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).