2-N'-ethylimidazole-2,2-diamine

C5H10N4 — CID 18504978

IUPAC2-N'-ethylimidazole-2,2-diamine
SMILESCCNC1(N)N=CC=N1
InChIInChI=1S/C5H10N4/c1-2-7-5(6)8-3-4-9-5/h3-4,7H,2,6H2,1H3
InChIKeyUVLLPERJDBXPAX-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.68
Rot. Bonds2

About 2-N'-ethylimidazole-2,2-diamine

2-N'-ethylimidazole-2,2-diamine (PubChem CID 18504978) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-N'-ethylimidazole-2,2-diamine.

Molecular Properties

Compound Name2-N'-ethylimidazole-2,2-diamine
PubChem CID18504978
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2-N'-ethylimidazole-2,2-diamine
SMILESCCNC1(N)N=CC=N1
InChIInChI=1S/C5H10N4/c1-2-7-5(6)8-3-4-9-5/h3-4,7H,2,6H2,1H3
InChIKeyUVLLPERJDBXPAX-UHFFFAOYSA-N
XLogP-0.68
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-ethylimidazole-2,2-diamine?
The IUPAC name of 2-N'-ethylimidazole-2,2-diamine (CID 18504978) is 2-N'-ethylimidazole-2,2-diamine.
What is the SMILES notation for 2-N'-ethylimidazole-2,2-diamine?
The canonical SMILES for 2-N'-ethylimidazole-2,2-diamine is CCNC1(N)N=CC=N1.
What is the InChIKey of 2-N'-ethylimidazole-2,2-diamine?
The InChIKey is UVLLPERJDBXPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-7-5(6)8-3-4-9-5/h3-4,7H,2,6H2,1H3.
What are the key properties of 2-N'-ethylimidazole-2,2-diamine?
2-N'-ethylimidazole-2,2-diamine has a molecular weight of 126.16 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-ethylimidazole-2,2-diamine is sourced from PubChem (CID 18504978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).