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

C5H10N4 — CID 20592701

IUPACN-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESC/C=N/NC1=NCCN1
InChIInChI=1S/C5H10N4/c1-2-8-9-5-6-3-4-7-5/h2H,3-4H2,1H3,(H2,6,7,9)/b8-2+
InChIKeySEVMEHFXVSYABO-KRXBUXKQSA-N
MW126.16 g/mol
LogP-0.46
Rot. Bonds1

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

N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 20592701) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID20592701
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESC/C=N/NC1=NCCN1
InChIInChI=1S/C5H10N4/c1-2-8-9-5-6-3-4-7-5/h2H,3-4H2,1H3,(H2,6,7,9)/b8-2+
InChIKeySEVMEHFXVSYABO-KRXBUXKQSA-N
XLogP-0.46
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.46
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?
The IUPAC name of N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 20592701) is N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is C/C=N/NC1=NCCN1.
What is the InChIKey of N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is SEVMEHFXVSYABO-KRXBUXKQSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-8-9-5-6-3-4-7-5/h2H,3-4H2,1H3,(H2,6,7,9)/b8-2+.
What are the key properties of N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 126.16 g/mol, XLogP of -0.46, 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 is sourced from PubChem (CID 20592701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).