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

C8H16N6 — CID 174021445

IUPAC2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide
SMILESCCNC(NC)=C(C#N)C(N)=NNC
InChIInChI=1S/C8H16N6/c1-4-13-8(11-2)6(5-9)7(10)14-12-3/h11-13H,4H2,1-3H3,(H2,10,14)
InChIKeyRMFOWBVAYZMDEJ-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.96
Rot. Bonds5

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

2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide (PubChem CID 174021445) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide.

Molecular Properties

Compound Name2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide
PubChem CID174021445
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide
SMILESCCNC(NC)=C(C#N)C(N)=NNC
InChIInChI=1S/C8H16N6/c1-4-13-8(11-2)6(5-9)7(10)14-12-3/h11-13H,4H2,1-3H3,(H2,10,14)
InChIKeyRMFOWBVAYZMDEJ-UHFFFAOYSA-N
XLogP-0.96
TPSA98.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.96
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-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide?
The IUPAC name of 2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide (CID 174021445) is 2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide.
What is the SMILES notation for 2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide?
The canonical SMILES for 2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide is CCNC(NC)=C(C#N)C(N)=NNC.
What is the InChIKey of 2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide?
The InChIKey is RMFOWBVAYZMDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-4-13-8(11-2)6(5-9)7(10)14-12-3/h11-13H,4H2,1-3H3,(H2,10,14).
What are the key properties of 2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide?
2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide has a molecular weight of 196.26 g/mol, XLogP of -0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(ethylamino)-N',3-bis(methylamino)prop-2-enimidamide is sourced from PubChem (CID 174021445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).