About N,2,6-trimethylheptan-3-imine
N,2,6-trimethylheptan-3-imine (PubChem CID 59889276) has the molecular formula C10H21N
and a molecular weight of 155.28 g/mol. Its IUPAC name is N,2,6-trimethylheptan-3-imine.
Molecular Properties
| Compound Name | N,2,6-trimethylheptan-3-imine |
|---|
| PubChem CID | 59889276 |
|---|
| Molecular Formula | C10H21N |
|---|
| Molecular Weight | 155.28 g/mol |
|---|
| Exact Mass | 155.17 |
|---|
| IUPAC Name | N,2,6-trimethylheptan-3-imine |
|---|
| SMILES | C/N=C(\CCC(C)C)C(C)C |
|---|
| InChI | InChI=1S/C10H21N/c1-8(2)6-7-10(11-5)9(3)4/h8-9H,6-7H2,1-5H3/b11-10+ |
|---|
| InChIKey | JRENHANTWGCQBI-ZHACJKMWSA-N |
|---|
| XLogP | 3.15 |
|---|
| TPSA | 12.36 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 11 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 155.28 |
| LogP ≤ 5 | 3.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
Analyze N,2,6-trimethylheptan-3-imine 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,2,6-trimethylheptan-3-imine?
The IUPAC name of N,2,6-trimethylheptan-3-imine (CID 59889276) is N,2,6-trimethylheptan-3-imine.
What is the SMILES notation for N,2,6-trimethylheptan-3-imine?
The canonical SMILES for N,2,6-trimethylheptan-3-imine is C/N=C(\CCC(C)C)C(C)C.
What is the InChIKey of N,2,6-trimethylheptan-3-imine?
The InChIKey is JRENHANTWGCQBI-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N/c1-8(2)6-7-10(11-5)9(3)4/h8-9H,6-7H2,1-5H3/b11-10+.
What are the key properties of N,2,6-trimethylheptan-3-imine?
N,2,6-trimethylheptan-3-imine has a molecular weight of 155.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethylheptan-3-imine is sourced from PubChem (CID 59889276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).