2,3-diiminocyclopropan-1-amine

C3H5N3 — CID 162419198

IUPAC2,3-diiminocyclopropan-1-amine
SMILES[H]/N=C1C(=N/[H])\C\1N
InChIInChI=1S/C3H5N3/c4-1-2(5)3(1)6/h1,5-6H,4H2/b5-2-,6-3-
InChIKeyRWHHZMRYOBOTDX-SXUARNTMSA-N
MW83.09 g/mol
LogP-0.63
Rot. Bonds

About 2,3-diiminocyclopropan-1-amine

2,3-diiminocyclopropan-1-amine (PubChem CID 162419198) has the molecular formula C3H5N3 and a molecular weight of 83.09 g/mol. Its IUPAC name is 2,3-diiminocyclopropan-1-amine.

Molecular Properties

Compound Name2,3-diiminocyclopropan-1-amine
PubChem CID162419198
Molecular FormulaC3H5N3
Molecular Weight83.09 g/mol
Exact Mass83.05
IUPAC Name2,3-diiminocyclopropan-1-amine
SMILES[H]/N=C1C(=N/[H])\C\1N
InChIInChI=1S/C3H5N3/c4-1-2(5)3(1)6/h1,5-6H,4H2/b5-2-,6-3-
InChIKeyRWHHZMRYOBOTDX-SXUARNTMSA-N
XLogP-0.63
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2,3-diiminocyclopropan-1-amine?
The IUPAC name of 2,3-diiminocyclopropan-1-amine (CID 162419198) is 2,3-diiminocyclopropan-1-amine.
What is the SMILES notation for 2,3-diiminocyclopropan-1-amine?
The canonical SMILES for 2,3-diiminocyclopropan-1-amine is [H]/N=C1C(=N/[H])\C\1N.
What is the InChIKey of 2,3-diiminocyclopropan-1-amine?
The InChIKey is RWHHZMRYOBOTDX-SXUARNTMSA-N. The full InChI is InChI=1S/C3H5N3/c4-1-2(5)3(1)6/h1,5-6H,4H2/b5-2-,6-3-.
What are the key properties of 2,3-diiminocyclopropan-1-amine?
2,3-diiminocyclopropan-1-amine has a molecular weight of 83.09 g/mol, XLogP of -0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiminocyclopropan-1-amine is sourced from PubChem (CID 162419198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).