2-amino-2-cyclopropylideneethanimidamide

C5H9N3 — CID 163877351

IUPAC2-amino-2-cyclopropylideneethanimidamide
SMILES[H]/N=C(\N)C(N)=C1CC1
InChIInChI=1S/C5H9N3/c6-4(5(7)8)3-1-2-3/h1-2,6H2,(H3,7,8)
InChIKeyPQBVJOVFCAGQNZ-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.07
Rot. Bonds1

About 2-amino-2-cyclopropylideneethanimidamide

2-amino-2-cyclopropylideneethanimidamide (PubChem CID 163877351) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2-amino-2-cyclopropylideneethanimidamide.

Molecular Properties

Compound Name2-amino-2-cyclopropylideneethanimidamide
PubChem CID163877351
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2-amino-2-cyclopropylideneethanimidamide
SMILES[H]/N=C(\N)C(N)=C1CC1
InChIInChI=1S/C5H9N3/c6-4(5(7)8)3-1-2-3/h1-2,6H2,(H3,7,8)
InChIKeyPQBVJOVFCAGQNZ-UHFFFAOYSA-N
XLogP-0.07
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropylideneethanimidamide?
The IUPAC name of 2-amino-2-cyclopropylideneethanimidamide (CID 163877351) is 2-amino-2-cyclopropylideneethanimidamide.
What is the SMILES notation for 2-amino-2-cyclopropylideneethanimidamide?
The canonical SMILES for 2-amino-2-cyclopropylideneethanimidamide is [H]/N=C(\N)C(N)=C1CC1.
What is the InChIKey of 2-amino-2-cyclopropylideneethanimidamide?
The InChIKey is PQBVJOVFCAGQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-4(5(7)8)3-1-2-3/h1-2,6H2,(H3,7,8).
What are the key properties of 2-amino-2-cyclopropylideneethanimidamide?
2-amino-2-cyclopropylideneethanimidamide has a molecular weight of 111.15 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropylideneethanimidamide is sourced from PubChem (CID 163877351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).