N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene

C8H14N4 — CID 172941659

IUPACN-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene
SMILESC/C=N/NC1=NCCN1.C=C=C
InChIInChI=1S/C5H10N4.C3H4/c1-2-8-9-5-6-3-4-7-5;1-3-2/h2H,3-4H2,1H3,(H2,6,7,9);1-2H2/b8-2+;
InChIKeyRIVOIIRAKMUTDA-VOKCZWNHSA-N
MW166.23 g/mol
LogP0.50
Rot. Bonds1

About N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene

N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene (PubChem CID 172941659) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene
PubChem CID172941659
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene
SMILESC/C=N/NC1=NCCN1.C=C=C
InChIInChI=1S/C5H10N4.C3H4/c1-2-8-9-5-6-3-4-7-5;1-3-2/h2H,3-4H2,1H3,(H2,6,7,9);1-2H2/b8-2+;
InChIKeyRIVOIIRAKMUTDA-VOKCZWNHSA-N
XLogP0.50
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene?
The IUPAC name of N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene (CID 172941659) is N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene.
What is the SMILES notation for N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene?
The canonical SMILES for N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene is C/C=N/NC1=NCCN1.C=C=C.
What is the InChIKey of N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene?
The InChIKey is RIVOIIRAKMUTDA-VOKCZWNHSA-N. The full InChI is InChI=1S/C5H10N4.C3H4/c1-2-8-9-5-6-3-4-7-5;1-3-2/h2H,3-4H2,1H3,(H2,6,7,9);1-2H2/b8-2+;.
What are the key properties of N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene?
N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene has a molecular weight of 166.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;propa-1,2-diene is sourced from PubChem (CID 172941659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).