2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile

C14H18N4O2 — CID 3944882

IUPAC2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile
SMILESCOC1(OC)N=C(N)C2(C#N)C3(CCCCC3)C12C#N
InChIInChI=1S/C14H18N4O2/c1-19-14(20-2)13(9-16)11(6-4-3-5-7-11)12(13,8-15)10(17)18-14/h3-7H2,1-2H3,(H2,17,18)
InChIKeyNPRBNBVEAFMMEW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.29
Rot. Bonds2

About 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile

2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile (PubChem CID 3944882) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile
PubChem CID3944882
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile
SMILESCOC1(OC)N=C(N)C2(C#N)C3(CCCCC3)C12C#N
InChIInChI=1S/C14H18N4O2/c1-19-14(20-2)13(9-16)11(6-4-3-5-7-11)12(13,8-15)10(17)18-14/h3-7H2,1-2H3,(H2,17,18)
InChIKeyNPRBNBVEAFMMEW-UHFFFAOYSA-N
XLogP1.29
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile 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 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile?
The IUPAC name of 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile (CID 3944882) is 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile?
The canonical SMILES for 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile is COC1(OC)N=C(N)C2(C#N)C3(CCCCC3)C12C#N.
What is the InChIKey of 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile?
The InChIKey is NPRBNBVEAFMMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-14(20-2)13(9-16)11(6-4-3-5-7-11)12(13,8-15)10(17)18-14/h3-7H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile?
2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile has a molecular weight of 274.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dimethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-1,5-dicarbonitrile is sourced from PubChem (CID 3944882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).