2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide

C7H14N6 — CID 174021454

IUPAC2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide
SMILESCNN=C(N)C(C#N)=C(NC)NC
InChIInChI=1S/C7H14N6/c1-10-7(11-2)5(4-8)6(9)13-12-3/h10-12H,1-3H3,(H2,9,13)
InChIKeyATGYLEANJJRWFL-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.35
Rot. Bonds4

About 2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide

2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide (PubChem CID 174021454) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide.

Molecular Properties

Compound Name2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide
PubChem CID174021454
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide
SMILESCNN=C(N)C(C#N)=C(NC)NC
InChIInChI=1S/C7H14N6/c1-10-7(11-2)5(4-8)6(9)13-12-3/h10-12H,1-3H3,(H2,9,13)
InChIKeyATGYLEANJJRWFL-UHFFFAOYSA-N
XLogP-1.35
TPSA98.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide?
The IUPAC name of 2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide (CID 174021454) is 2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide.
What is the SMILES notation for 2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide?
The canonical SMILES for 2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide is CNN=C(N)C(C#N)=C(NC)NC.
What is the InChIKey of 2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide?
The InChIKey is ATGYLEANJJRWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-10-7(11-2)5(4-8)6(9)13-12-3/h10-12H,1-3H3,(H2,9,13).
What are the key properties of 2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide?
2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide has a molecular weight of 182.23 g/mol, XLogP of -1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N',3,3-tris(methylamino)prop-2-enimidamide is sourced from PubChem (CID 174021454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).