About N-[(Z)-prop-2-enylideneamino]propan-1-amine
N-[(Z)-prop-2-enylideneamino]propan-1-amine (PubChem CID 166786300) has the molecular formula C6H12N2
and a molecular weight of 112.18 g/mol. Its IUPAC name is N-[(Z)-prop-2-enylideneamino]propan-1-amine.
Molecular Properties
| Compound Name | N-[(Z)-prop-2-enylideneamino]propan-1-amine |
|---|
| PubChem CID | 166786300 |
|---|
| Molecular Formula | C6H12N2 |
|---|
| Molecular Weight | 112.18 g/mol |
|---|
| Exact Mass | 112.10 |
|---|
| IUPAC Name | N-[(Z)-prop-2-enylideneamino]propan-1-amine |
|---|
| SMILES | C=C/C=N\NCCC |
|---|
| InChI | InChI=1S/C6H12N2/c1-3-5-7-8-6-4-2/h3,5,8H,1,4,6H2,2H3/b7-5- |
|---|
| InChIKey | JJFQUMAZKHMCJW-ALCCZGGFSA-N |
|---|
| XLogP | 1.16 |
|---|
| TPSA | 24.39 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 112.18 |
| LogP ≤ 5 | 1.16 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N-[(Z)-prop-2-enylideneamino]propan-1-amine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[(Z)-prop-2-enylideneamino]propan-1-amine?
The IUPAC name of N-[(Z)-prop-2-enylideneamino]propan-1-amine (CID 166786300) is N-[(Z)-prop-2-enylideneamino]propan-1-amine.
What is the SMILES notation for N-[(Z)-prop-2-enylideneamino]propan-1-amine?
The canonical SMILES for N-[(Z)-prop-2-enylideneamino]propan-1-amine is C=C/C=N\NCCC.
What is the InChIKey of N-[(Z)-prop-2-enylideneamino]propan-1-amine?
The InChIKey is JJFQUMAZKHMCJW-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-7-8-6-4-2/h3,5,8H,1,4,6H2,2H3/b7-5-.
What are the key properties of N-[(Z)-prop-2-enylideneamino]propan-1-amine?
N-[(Z)-prop-2-enylideneamino]propan-1-amine has a molecular weight of 112.18 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-2-enylideneamino]propan-1-amine is sourced from PubChem (CID 166786300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).