(Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine

C11H17N3 — CID 142542138

IUPAC(Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CC2(CNC2)C1
InChIInChI=1S/C11H17N3/c1-3-5-10(13-4-2)14-8-11(9-14)6-12-7-11/h3-5,12H,2,6-9H2,1H3/b5-3-,13-10+
InChIKeyZQTZGVDFOLWLNI-MLJFPUFMSA-N
MW191.28 g/mol
LogP1.01
Rot. Bonds2

About (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine

(Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine (PubChem CID 142542138) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine
PubChem CID142542138
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CC2(CNC2)C1
InChIInChI=1S/C11H17N3/c1-3-5-10(13-4-2)14-8-11(9-14)6-12-7-11/h3-5,12H,2,6-9H2,1H3/b5-3-,13-10+
InChIKeyZQTZGVDFOLWLNI-MLJFPUFMSA-N
XLogP1.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine?
The IUPAC name of (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine (CID 142542138) is (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine.
What is the SMILES notation for (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine?
The canonical SMILES for (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine is C=C/N=C(\C=C/C)N1CC2(CNC2)C1.
What is the InChIKey of (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine?
The InChIKey is ZQTZGVDFOLWLNI-MLJFPUFMSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-5-10(13-4-2)14-8-11(9-14)6-12-7-11/h3-5,12H,2,6-9H2,1H3/b5-3-,13-10+.
What are the key properties of (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine?
(Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine has a molecular weight of 191.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,6-diazaspiro[3.3]heptan-2-yl)-N-ethenylbut-2-en-1-imine is sourced from PubChem (CID 142542138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).