7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane

C13H22N2 — CID 177037789

IUPAC7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane
SMILESC=CC1=C(C=C)C2(CC2)N(N)CC1.CC
InChIInChI=1S/C11H16N2.C2H6/c1-3-9-5-8-13(12)11(6-7-11)10(9)4-2;1-2/h3-4H,1-2,5-8,12H2;1-2H3
InChIKeyHBNPVHQZBZIVGM-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.79
Rot. Bonds2

About 7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane

7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane (PubChem CID 177037789) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane.

Molecular Properties

Compound Name7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane
PubChem CID177037789
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane
SMILESC=CC1=C(C=C)C2(CC2)N(N)CC1.CC
InChIInChI=1S/C11H16N2.C2H6/c1-3-9-5-8-13(12)11(6-7-11)10(9)4-2;1-2/h3-4H,1-2,5-8,12H2;1-2H3
InChIKeyHBNPVHQZBZIVGM-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane?
The IUPAC name of 7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane (CID 177037789) is 7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane.
What is the SMILES notation for 7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane?
The canonical SMILES for 7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane is C=CC1=C(C=C)C2(CC2)N(N)CC1.CC.
What is the InChIKey of 7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane?
The InChIKey is HBNPVHQZBZIVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-3-9-5-8-13(12)11(6-7-11)10(9)4-2;1-2/h3-4H,1-2,5-8,12H2;1-2H3.
What are the key properties of 7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane?
7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane has a molecular weight of 206.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(ethenyl)-4-azaspiro[2.5]oct-7-en-4-amine;ethane is sourced from PubChem (CID 177037789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).