(Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine

C13H20N2 — CID 155781436

IUPAC(Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CCC2(CC1)CC2
InChIInChI=1S/C13H20N2/c1-3-5-12(14-4-2)15-10-8-13(6-7-13)9-11-15/h3-5H,2,6-11H2,1H3/b5-3-,14-12+
InChIKeyLSROSDVYNKRBDF-VEIHPZSMSA-N
MW204.32 g/mol
LogP2.98
Rot. Bonds2

About (Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine

(Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine (PubChem CID 155781436) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine
PubChem CID155781436
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CCC2(CC1)CC2
InChIInChI=1S/C13H20N2/c1-3-5-12(14-4-2)15-10-8-13(6-7-13)9-11-15/h3-5H,2,6-11H2,1H3/b5-3-,14-12+
InChIKeyLSROSDVYNKRBDF-VEIHPZSMSA-N
XLogP2.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine?
The IUPAC name of (Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine (CID 155781436) is (Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine.
What is the SMILES notation for (Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine?
The canonical SMILES for (Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine is C=C/N=C(\C=C/C)N1CCC2(CC1)CC2.
What is the InChIKey of (Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine?
The InChIKey is LSROSDVYNKRBDF-VEIHPZSMSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-5-12(14-4-2)15-10-8-13(6-7-13)9-11-15/h3-5H,2,6-11H2,1H3/b5-3-,14-12+.
What are the key properties of (Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine?
(Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine has a molecular weight of 204.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine is sourced from PubChem (CID 155781436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).