About N'-(cyclobutylmethyl)-N'-methylmethanediamine
N'-(cyclobutylmethyl)-N'-methylmethanediamine (PubChem CID 115225987) has the molecular formula C7H16N2
and a molecular weight of 128.22 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-methylmethanediamine.
Molecular Properties
| Compound Name | N'-(cyclobutylmethyl)-N'-methylmethanediamine |
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| PubChem CID | 115225987 |
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| Molecular Formula | C7H16N2 |
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| Molecular Weight | 128.22 g/mol |
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| Exact Mass | 128.13 |
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| IUPAC Name | N'-(cyclobutylmethyl)-N'-methylmethanediamine |
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| SMILES | CN(CN)CC1CCC1 |
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| InChI | InChI=1S/C7H16N2/c1-9(6-8)5-7-3-2-4-7/h7H,2-6,8H2,1H3 |
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| InChIKey | IIYGKGFKVALQSU-UHFFFAOYSA-N |
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| XLogP | 0.63 |
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| TPSA | 29.26 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 9 |
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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 | 128.22 |
| LogP ≤ 5 | 0.63 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-(cyclobutylmethyl)-N'-methylmethanediamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-methylmethanediamine (CID 115225987) is N'-(cyclobutylmethyl)-N'-methylmethanediamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-methylmethanediamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-methylmethanediamine is CN(CN)CC1CCC1.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-methylmethanediamine?
The InChIKey is IIYGKGFKVALQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-9(6-8)5-7-3-2-4-7/h7H,2-6,8H2,1H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-methylmethanediamine?
N'-(cyclobutylmethyl)-N'-methylmethanediamine has a molecular weight of 128.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N'-methylmethanediamine is sourced from PubChem (CID 115225987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).