1-(1-ethanimidoylcyclopropyl)ethanimine

C7H12N2 — CID 123656751

IUPAC1-(1-ethanimidoylcyclopropyl)ethanimine
SMILES[H]/N=C(\C)C1(/C(C)=N/[H])CC1
InChIInChI=1S/C7H12N2/c1-5(8)7(3-4-7)6(2)9/h8-9H,3-4H2,1-2H3/b8-5+,9-6+
InChIKeyHBBSVMZLIDJICJ-XVYDYJIPSA-N
MW124.19 g/mol
LogP1.85
Rot. Bonds2

About 1-(1-ethanimidoylcyclopropyl)ethanimine

1-(1-ethanimidoylcyclopropyl)ethanimine (PubChem CID 123656751) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(1-ethanimidoylcyclopropyl)ethanimine.

Molecular Properties

Compound Name1-(1-ethanimidoylcyclopropyl)ethanimine
PubChem CID123656751
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(1-ethanimidoylcyclopropyl)ethanimine
SMILES[H]/N=C(\C)C1(/C(C)=N/[H])CC1
InChIInChI=1S/C7H12N2/c1-5(8)7(3-4-7)6(2)9/h8-9H,3-4H2,1-2H3/b8-5+,9-6+
InChIKeyHBBSVMZLIDJICJ-XVYDYJIPSA-N
XLogP1.85
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethanimidoylcyclopropyl)ethanimine?
The IUPAC name of 1-(1-ethanimidoylcyclopropyl)ethanimine (CID 123656751) is 1-(1-ethanimidoylcyclopropyl)ethanimine.
What is the SMILES notation for 1-(1-ethanimidoylcyclopropyl)ethanimine?
The canonical SMILES for 1-(1-ethanimidoylcyclopropyl)ethanimine is [H]/N=C(\C)C1(/C(C)=N/[H])CC1.
What is the InChIKey of 1-(1-ethanimidoylcyclopropyl)ethanimine?
The InChIKey is HBBSVMZLIDJICJ-XVYDYJIPSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(8)7(3-4-7)6(2)9/h8-9H,3-4H2,1-2H3/b8-5+,9-6+.
What are the key properties of 1-(1-ethanimidoylcyclopropyl)ethanimine?
1-(1-ethanimidoylcyclopropyl)ethanimine has a molecular weight of 124.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethanimidoylcyclopropyl)ethanimine is sourced from PubChem (CID 123656751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).