(2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine

C10H15N3 — CID 123909283

IUPAC(2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine
SMILESC=CNC1=NC2CCN(C2)/C1=C/C
InChIInChI=1S/C10H15N3/c1-3-9-10(11-4-2)12-8-5-6-13(9)7-8/h3-4,8H,2,5-7H2,1H3,(H,11,12)/b9-3+
InChIKeyWYGGOFBCEUQDMT-YCRREMRBSA-N
MW177.25 g/mol
LogP1.11
Rot. Bonds1

About (2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine

(2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine (PubChem CID 123909283) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine.

Molecular Properties

Compound Name(2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine
PubChem CID123909283
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine
SMILESC=CNC1=NC2CCN(C2)/C1=C/C
InChIInChI=1S/C10H15N3/c1-3-9-10(11-4-2)12-8-5-6-13(9)7-8/h3-4,8H,2,5-7H2,1H3,(H,11,12)/b9-3+
InChIKeyWYGGOFBCEUQDMT-YCRREMRBSA-N
XLogP1.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine?
The IUPAC name of (2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine (CID 123909283) is (2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine.
What is the SMILES notation for (2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine?
The canonical SMILES for (2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine is C=CNC1=NC2CCN(C2)/C1=C/C.
What is the InChIKey of (2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine?
The InChIKey is WYGGOFBCEUQDMT-YCRREMRBSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-9-10(11-4-2)12-8-5-6-13(9)7-8/h3-4,8H,2,5-7H2,1H3,(H,11,12)/b9-3+.
What are the key properties of (2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine?
(2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine has a molecular weight of 177.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-2-ethylidene-1,4-diazabicyclo[3.2.1]oct-3-en-3-amine is sourced from PubChem (CID 123909283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).