N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide

C8H16N4 — CID 89258903

IUPACN'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide
SMILESC=C(N)/C(NCC)=C(C)\N=C\N
InChIInChI=1S/C8H16N4/c1-4-11-8(6(2)10)7(3)12-5-9/h5,11H,2,4,10H2,1,3H3,(H2,9,12)/b8-7+
InChIKeyHWWWUQUCLHTIAA-BQYQJAHWSA-N
MW168.24 g/mol
LogP0.29
Rot. Bonds4

About N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide

N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide (PubChem CID 89258903) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide
PubChem CID89258903
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide
SMILESC=C(N)/C(NCC)=C(C)\N=C\N
InChIInChI=1S/C8H16N4/c1-4-11-8(6(2)10)7(3)12-5-9/h5,11H,2,4,10H2,1,3H3,(H2,9,12)/b8-7+
InChIKeyHWWWUQUCLHTIAA-BQYQJAHWSA-N
XLogP0.29
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide?
The IUPAC name of N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide (CID 89258903) is N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide.
What is the SMILES notation for N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide?
The canonical SMILES for N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide is C=C(N)/C(NCC)=C(C)\N=C\N.
What is the InChIKey of N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide?
The InChIKey is HWWWUQUCLHTIAA-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-11-8(6(2)10)7(3)12-5-9/h5,11H,2,4,10H2,1,3H3,(H2,9,12)/b8-7+.
What are the key properties of N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide?
N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide has a molecular weight of 168.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-4-amino-3-(ethylamino)penta-2,4-dien-2-yl]methanimidamide is sourced from PubChem (CID 89258903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).