About [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane
[methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane (PubChem CID 158881565) has the molecular formula C26H67N7O3
and a molecular weight of 525.87 g/mol. Its IUPAC name is [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane.
Molecular Properties
| Compound Name | [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane |
|---|
| PubChem CID | 158881565 |
|---|
| Molecular Formula | C26H67N7O3 |
|---|
| Molecular Weight | 525.87 g/mol |
|---|
| Exact Mass | 525.53 |
|---|
| IUPAC Name | [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane |
|---|
| SMILES | CCC(C)CC.CCCN(C)CN(C)CO.CCCN(C)CN(C)CO.CNCN(C)CN(C)CO |
|---|
| InChI | InChI=1S/2C7H18N2O.C6H17N3O.C6H14/c2*1-4-5-8(2)6-9(3)7-10;1-7-4-8(2)5-9(3)6-10;1-4-6(3)5-2/h2*10H,4-7H2,1-3H3;7,10H,4-6H2,1-3H3;6H,4-5H2,1-3H3 |
|---|
| InChIKey | JDBYRZYLBQBGHR-UHFFFAOYSA-N |
|---|
| XLogP | 1.71 |
|---|
| TPSA | 92.16 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 17 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 525.87 |
| LogP ≤ 5 | 1.71 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
|---|
Analyze [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane 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 [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane?
The IUPAC name of [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane (CID 158881565) is [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane.
What is the SMILES notation for [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane?
The canonical SMILES for [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane is CCC(C)CC.CCCN(C)CN(C)CO.CCCN(C)CN(C)CO.CNCN(C)CN(C)CO.
What is the InChIKey of [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane?
The InChIKey is JDBYRZYLBQBGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H18N2O.C6H17N3O.C6H14/c2*1-4-5-8(2)6-9(3)7-10;1-7-4-8(2)5-9(3)6-10;1-4-6(3)5-2/h2*10H,4-7H2,1-3H3;7,10H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane?
[methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane has a molecular weight of 525.87 g/mol, XLogP of 1.71, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[[methyl(methylaminomethyl)amino]methyl]amino]methanol;bis([methyl-[[methyl(propyl)amino]methyl]amino]methanol);3-methylpentane is sourced from PubChem (CID 158881565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).