About N'-(2-iminoethyl)-N,N'-dimethylmethanediamine
N'-(2-iminoethyl)-N,N'-dimethylmethanediamine (PubChem CID 18715986) has the molecular formula C5H13N3
and a molecular weight of 115.18 g/mol. Its IUPAC name is N'-(2-iminoethyl)-N,N'-dimethylmethanediamine.
Molecular Properties
| Compound Name | N'-(2-iminoethyl)-N,N'-dimethylmethanediamine |
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| PubChem CID | 18715986 |
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| Molecular Formula | C5H13N3 |
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| Molecular Weight | 115.18 g/mol |
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| Exact Mass | 115.11 |
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| IUPAC Name | N'-(2-iminoethyl)-N,N'-dimethylmethanediamine |
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| SMILES | [H]/N=C/CN(C)CNC |
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| InChI | InChI=1S/C5H13N3/c1-7-5-8(2)4-3-6/h3,6-7H,4-5H2,1-2H3/b6-3+ |
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| InChIKey | ABBKASNZMIKDHA-ZZXKWVIFSA-N |
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| XLogP | -0.26 |
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| TPSA | 39.12 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 115.18 |
| LogP ≤ 5 | -0.26 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(2-iminoethyl)-N,N'-dimethylmethanediamine?
The IUPAC name of N'-(2-iminoethyl)-N,N'-dimethylmethanediamine (CID 18715986) is N'-(2-iminoethyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-(2-iminoethyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-(2-iminoethyl)-N,N'-dimethylmethanediamine is [H]/N=C/CN(C)CNC.
What is the InChIKey of N'-(2-iminoethyl)-N,N'-dimethylmethanediamine?
The InChIKey is ABBKASNZMIKDHA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H13N3/c1-7-5-8(2)4-3-6/h3,6-7H,4-5H2,1-2H3/b6-3+.
What are the key properties of N'-(2-iminoethyl)-N,N'-dimethylmethanediamine?
N'-(2-iminoethyl)-N,N'-dimethylmethanediamine has a molecular weight of 115.18 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-iminoethyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 18715986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).