2-iminocyclopropan-1-amine

C3H6N2 — CID 173427406

IUPAC2-iminocyclopropan-1-amine
SMILES[H]/N=C1\CC1N
InChIInChI=1S/C3H6N2/c4-2-1-3(2)5/h2,5H,1,4H2/b5-3+
InChIKeyVHDOPDKLVUUZOI-HWKANZROSA-N
MW70.09 g/mol
LogP-0.26
Rot. Bonds

About 2-iminocyclopropan-1-amine

2-iminocyclopropan-1-amine (PubChem CID 173427406) has the molecular formula C3H6N2 and a molecular weight of 70.09 g/mol. Its IUPAC name is 2-iminocyclopropan-1-amine.

Molecular Properties

Compound Name2-iminocyclopropan-1-amine
PubChem CID173427406
Molecular FormulaC3H6N2
Molecular Weight70.09 g/mol
Exact Mass70.05
IUPAC Name2-iminocyclopropan-1-amine
SMILES[H]/N=C1\CC1N
InChIInChI=1S/C3H6N2/c4-2-1-3(2)5/h2,5H,1,4H2/b5-3+
InChIKeyVHDOPDKLVUUZOI-HWKANZROSA-N
XLogP-0.26
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 5-0.26
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 2-iminocyclopropan-1-amine?
The IUPAC name of 2-iminocyclopropan-1-amine (CID 173427406) is 2-iminocyclopropan-1-amine.
What is the SMILES notation for 2-iminocyclopropan-1-amine?
The canonical SMILES for 2-iminocyclopropan-1-amine is [H]/N=C1\CC1N.
What is the InChIKey of 2-iminocyclopropan-1-amine?
The InChIKey is VHDOPDKLVUUZOI-HWKANZROSA-N. The full InChI is InChI=1S/C3H6N2/c4-2-1-3(2)5/h2,5H,1,4H2/b5-3+.
What are the key properties of 2-iminocyclopropan-1-amine?
2-iminocyclopropan-1-amine has a molecular weight of 70.09 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminocyclopropan-1-amine is sourced from PubChem (CID 173427406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).