About N,N-dimethylpenta-1,3-dien-3-amine
N,N-dimethylpenta-1,3-dien-3-amine (PubChem CID 6713359) has the molecular formula C7H13N
and a molecular weight of 111.19 g/mol. Its IUPAC name is N,N-dimethylpenta-1,3-dien-3-amine.
Molecular Properties
| Compound Name | N,N-dimethylpenta-1,3-dien-3-amine |
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| PubChem CID | 6713359 |
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| Molecular Formula | C7H13N |
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| Molecular Weight | 111.19 g/mol |
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| Exact Mass | 111.10 |
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| IUPAC Name | N,N-dimethylpenta-1,3-dien-3-amine |
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| SMILES | C=CC(=CC)N(C)C |
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| InChI | InChI=1S/C7H13N/c1-5-7(6-2)8(3)4/h5-6H,1H2,2-4H3 |
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| InChIKey | HIRYLZHHNGCGDS-UHFFFAOYSA-N |
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| XLogP | 1.64 |
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| TPSA | 3.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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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 |
|---|
| MW ≤ 500 | 111.19 |
| LogP ≤ 5 | 1.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N,N-dimethylpenta-1,3-dien-3-amine?
The IUPAC name of N,N-dimethylpenta-1,3-dien-3-amine (CID 6713359) is N,N-dimethylpenta-1,3-dien-3-amine.
What is the SMILES notation for N,N-dimethylpenta-1,3-dien-3-amine?
The canonical SMILES for N,N-dimethylpenta-1,3-dien-3-amine is C=CC(=CC)N(C)C.
What is the InChIKey of N,N-dimethylpenta-1,3-dien-3-amine?
The InChIKey is HIRYLZHHNGCGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-7(6-2)8(3)4/h5-6H,1H2,2-4H3.
What are the key properties of N,N-dimethylpenta-1,3-dien-3-amine?
N,N-dimethylpenta-1,3-dien-3-amine has a molecular weight of 111.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpenta-1,3-dien-3-amine is sourced from PubChem (CID 6713359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).