(E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine

C14H23N3 — CID 134406368

IUPAC(E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)N1CC2(CCNCC2)C1
InChIInChI=1S/C14H23N3/c1-4-13(9-16-12(2)3)17-10-14(11-17)5-7-15-8-6-14/h4,9,15H,2,5-8,10-11H2,1,3H3/b13-4+,16-9+
InChIKeyOJSWAKLYEHQVCA-WUVOGLOJSA-N
MW233.36 g/mol
LogP2.18
Rot. Bonds3

About (E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine

(E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 134406368) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID134406368
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)N1CC2(CCNCC2)C1
InChIInChI=1S/C14H23N3/c1-4-13(9-16-12(2)3)17-10-14(11-17)5-7-15-8-6-14/h4,9,15H,2,5-8,10-11H2,1,3H3/b13-4+,16-9+
InChIKeyOJSWAKLYEHQVCA-WUVOGLOJSA-N
XLogP2.18
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine (CID 134406368) is (E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)/N=C/C(=C\C)N1CC2(CCNCC2)C1.
What is the InChIKey of (E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is OJSWAKLYEHQVCA-WUVOGLOJSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-13(9-16-12(2)3)17-10-14(11-17)5-7-15-8-6-14/h4,9,15H,2,5-8,10-11H2,1,3H3/b13-4+,16-9+.
What are the key properties of (E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine?
(E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 233.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 134406368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).