About [2-methylpropyl(propan-2-yl)phosphanyl]methanamine
[2-methylpropyl(propan-2-yl)phosphanyl]methanamine (PubChem CID 88553425) has the molecular formula C8H20NP
and a molecular weight of 161.23 g/mol. Its IUPAC name is [2-methylpropyl(propan-2-yl)phosphanyl]methanamine.
Molecular Properties
| Compound Name | [2-methylpropyl(propan-2-yl)phosphanyl]methanamine |
| PubChem CID | 88553425 |
| Molecular Formula | C8H20NP |
| Molecular Weight | 161.23 g/mol |
| Exact Mass | 161.13 |
| IUPAC Name | [2-methylpropyl(propan-2-yl)phosphanyl]methanamine |
| SMILES | CC(C)CP(CN)C(C)C |
| InChI | InChI=1S/C8H20NP/c1-7(2)5-10(6-9)8(3)4/h7-8H,5-6,9H2,1-4H3 |
| InChIKey | ZHMDCMWOCAXCAP-UHFFFAOYSA-N |
| XLogP | 2.45 |
| TPSA | 26.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 161.23 |
| LogP ≤ 5 | 2.45 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
The IUPAC name of [2-methylpropyl(propan-2-yl)phosphanyl]methanamine (CID 88553425) is [2-methylpropyl(propan-2-yl)phosphanyl]methanamine.
What is the SMILES notation for [2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
The canonical SMILES for [2-methylpropyl(propan-2-yl)phosphanyl]methanamine is CC(C)CP(CN)C(C)C.
What is the InChIKey of [2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
The InChIKey is ZHMDCMWOCAXCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NP/c1-7(2)5-10(6-9)8(3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of [2-methylpropyl(propan-2-yl)phosphanyl]methanamine?
[2-methylpropyl(propan-2-yl)phosphanyl]methanamine has a molecular weight of 161.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylpropyl(propan-2-yl)phosphanyl]methanamine is sourced from PubChem (CID 88553425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).