About 1-(ethylideneamino)-N',N'-dimethylmethanediamine
1-(ethylideneamino)-N',N'-dimethylmethanediamine (PubChem CID 123584795) has the molecular formula C5H13N3
and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-(ethylideneamino)-N',N'-dimethylmethanediamine.
Molecular Properties
| Compound Name | 1-(ethylideneamino)-N',N'-dimethylmethanediamine |
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| PubChem CID | 123584795 |
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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 | 1-(ethylideneamino)-N',N'-dimethylmethanediamine |
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| SMILES | CC=NC(N)N(C)C |
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| InChI | InChI=1S/C5H13N3/c1-4-7-5(6)8(2)3/h4-5H,6H2,1-3H3 |
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| InChIKey | UMTWIXMWIFGJHV-UHFFFAOYSA-N |
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| XLogP | -0.12 |
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| TPSA | 41.62 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 2 |
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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 | -0.12 |
| H-Bond Donors ≤ 5 | 1 |
| 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 1-(ethylideneamino)-N',N'-dimethylmethanediamine?
The IUPAC name of 1-(ethylideneamino)-N',N'-dimethylmethanediamine (CID 123584795) is 1-(ethylideneamino)-N',N'-dimethylmethanediamine.
What is the SMILES notation for 1-(ethylideneamino)-N',N'-dimethylmethanediamine?
The canonical SMILES for 1-(ethylideneamino)-N',N'-dimethylmethanediamine is CC=NC(N)N(C)C.
What is the InChIKey of 1-(ethylideneamino)-N',N'-dimethylmethanediamine?
The InChIKey is UMTWIXMWIFGJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-4-7-5(6)8(2)3/h4-5H,6H2,1-3H3.
What are the key properties of 1-(ethylideneamino)-N',N'-dimethylmethanediamine?
1-(ethylideneamino)-N',N'-dimethylmethanediamine has a molecular weight of 115.18 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylideneamino)-N',N'-dimethylmethanediamine is sourced from PubChem (CID 123584795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).