2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile

C8H8N4 — CID 89146936

IUPAC2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile
SMILESCCNC(CC#N)=C(C#N)C#N
InChIInChI=1S/C8H8N4/c1-2-12-8(3-4-9)7(5-10)6-11/h12H,2-3H2,1H3
InChIKeyLZEOIUWFWHKLLA-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.81
Rot. Bonds3

About 2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile

2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile (PubChem CID 89146936) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile.

Molecular Properties

Compound Name2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile
PubChem CID89146936
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile
SMILESCCNC(CC#N)=C(C#N)C#N
InChIInChI=1S/C8H8N4/c1-2-12-8(3-4-9)7(5-10)6-11/h12H,2-3H2,1H3
InChIKeyLZEOIUWFWHKLLA-UHFFFAOYSA-N
XLogP0.81
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile?
The IUPAC name of 2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile (CID 89146936) is 2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile.
What is the SMILES notation for 2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile?
The canonical SMILES for 2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile is CCNC(CC#N)=C(C#N)C#N.
What is the InChIKey of 2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile?
The InChIKey is LZEOIUWFWHKLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-12-8(3-4-9)7(5-10)6-11/h12H,2-3H2,1H3.
What are the key properties of 2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile?
2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile has a molecular weight of 160.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)prop-1-ene-1,1,3-tricarbonitrile is sourced from PubChem (CID 89146936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).