3-iminocyclopropane-1,2-diamine

C3H7N3 — CID 54023414

IUPAC3-iminocyclopropane-1,2-diamine
SMILES[H]N=C1C(N)C1N
InChIInChI=1S/C3H7N3/c4-1-2(5)3(1)6/h1-2,6H,4-5H2
InChIKeyRJPYAWKDFXUTJX-UHFFFAOYSA-N
MW85.11 g/mol
LogP-1.33
Rot. Bonds

About 3-iminocyclopropane-1,2-diamine

3-iminocyclopropane-1,2-diamine (PubChem CID 54023414) has the molecular formula C3H7N3 and a molecular weight of 85.11 g/mol. Its IUPAC name is 3-iminocyclopropane-1,2-diamine.

Molecular Properties

Compound Name3-iminocyclopropane-1,2-diamine
PubChem CID54023414
Molecular FormulaC3H7N3
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC Name3-iminocyclopropane-1,2-diamine
SMILES[H]N=C1C(N)C1N
InChIInChI=1S/C3H7N3/c4-1-2(5)3(1)6/h1-2,6H,4-5H2
InChIKeyRJPYAWKDFXUTJX-UHFFFAOYSA-N
XLogP-1.33
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-1.33
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 3-iminocyclopropane-1,2-diamine?
The IUPAC name of 3-iminocyclopropane-1,2-diamine (CID 54023414) is 3-iminocyclopropane-1,2-diamine.
What is the SMILES notation for 3-iminocyclopropane-1,2-diamine?
The canonical SMILES for 3-iminocyclopropane-1,2-diamine is [H]N=C1C(N)C1N.
What is the InChIKey of 3-iminocyclopropane-1,2-diamine?
The InChIKey is RJPYAWKDFXUTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3/c4-1-2(5)3(1)6/h1-2,6H,4-5H2.
What are the key properties of 3-iminocyclopropane-1,2-diamine?
3-iminocyclopropane-1,2-diamine has a molecular weight of 85.11 g/mol, XLogP of -1.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminocyclopropane-1,2-diamine is sourced from PubChem (CID 54023414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).