3-iminoprop-1-en-1-amine

C3H6N2 — CID 71358233

IUPAC3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=CN
InChIInChI=1S/C3H6N2/c4-2-1-3-5/h1-4H,5H2/b3-1?,4-2+
InChIKeyPKNPFPQHDUSYLD-RWOTWAKKSA-N
MW70.09 g/mol
LogP0.11
Rot. Bonds1

About 3-iminoprop-1-en-1-amine

3-iminoprop-1-en-1-amine (PubChem CID 71358233) has the molecular formula C3H6N2 and a molecular weight of 70.09 g/mol. Its IUPAC name is 3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name3-iminoprop-1-en-1-amine
PubChem CID71358233
Molecular FormulaC3H6N2
Molecular Weight70.09 g/mol
Exact Mass70.05
IUPAC Name3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=CN
InChIInChI=1S/C3H6N2/c4-2-1-3-5/h1-4H,5H2/b3-1?,4-2+
InChIKeyPKNPFPQHDUSYLD-RWOTWAKKSA-N
XLogP0.11
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.11
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 3-iminoprop-1-en-1-amine?
The IUPAC name of 3-iminoprop-1-en-1-amine (CID 71358233) is 3-iminoprop-1-en-1-amine.
What is the SMILES notation for 3-iminoprop-1-en-1-amine?
The canonical SMILES for 3-iminoprop-1-en-1-amine is [H]/N=C/C=CN.
What is the InChIKey of 3-iminoprop-1-en-1-amine?
The InChIKey is PKNPFPQHDUSYLD-RWOTWAKKSA-N. The full InChI is InChI=1S/C3H6N2/c4-2-1-3-5/h1-4H,5H2/b3-1?,4-2+.
What are the key properties of 3-iminoprop-1-en-1-amine?
3-iminoprop-1-en-1-amine has a molecular weight of 70.09 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminoprop-1-en-1-amine is sourced from PubChem (CID 71358233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).