2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile

C19H26N8 — CID 88780962

IUPAC2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile
SMILESCNC(=C(C#N)C#N)N1CCCCC1.N#CC(C#N)=C(N)N1CCCCC1
InChIInChI=1S/C10H14N4.C9H12N4/c1-13-10(9(7-11)8-12)14-5-3-2-4-6-14;10-6-8(7-11)9(12)13-4-2-1-3-5-13/h13H,2-6H2,1H3;1-5,12H2
InChIKeyZVEBEDVGKSBERH-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.64
Rot. Bonds3

About 2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile

2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile (PubChem CID 88780962) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile
PubChem CID88780962
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC Name2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile
SMILESCNC(=C(C#N)C#N)N1CCCCC1.N#CC(C#N)=C(N)N1CCCCC1
InChIInChI=1S/C10H14N4.C9H12N4/c1-13-10(9(7-11)8-12)14-5-3-2-4-6-14;10-6-8(7-11)9(12)13-4-2-1-3-5-13/h13H,2-6H2,1H3;1-5,12H2
InChIKeyZVEBEDVGKSBERH-UHFFFAOYSA-N
XLogP1.64
TPSA139.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile 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(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile?
The IUPAC name of 2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile (CID 88780962) is 2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile?
The canonical SMILES for 2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile is CNC(=C(C#N)C#N)N1CCCCC1.N#CC(C#N)=C(N)N1CCCCC1.
What is the InChIKey of 2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile?
The InChIKey is ZVEBEDVGKSBERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4.C9H12N4/c1-13-10(9(7-11)8-12)14-5-3-2-4-6-14;10-6-8(7-11)9(12)13-4-2-1-3-5-13/h13H,2-6H2,1H3;1-5,12H2.
What are the key properties of 2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile?
2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile has a molecular weight of 366.47 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(piperidin-1-yl)methylidene]propanedinitrile;2-[methylamino(piperidin-1-yl)methylidene]propanedinitrile is sourced from PubChem (CID 88780962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).