About N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene
N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene (PubChem CID 143915901) has the molecular formula C24H35N3
and a molecular weight of 365.57 g/mol. Its IUPAC name is N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene.
Molecular Properties
| Compound Name | N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene |
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| PubChem CID | 143915901 |
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| Molecular Formula | C24H35N3 |
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| Molecular Weight | 365.57 g/mol |
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| Exact Mass | 365.28 |
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| IUPAC Name | N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene |
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| SMILES | C=C(C)/C(=N\C=N\C)c1ccc(C(C)(C)C#N)cc1.C=CC.CC=C(C)C |
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| InChI | InChI=1S/C16H19N3.C5H10.C3H6/c1-12(2)15(19-11-18-5)13-6-8-14(9-7-13)16(3,4)10-17;1-4-5(2)3;1-3-2/h6-9,11H,1H2,2-5H3;4H,1-3H3;3H,1H2,2H3/b18-11+,19-15+;; |
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| InChIKey | VYOHIOJWWOEGBC-ZVQIDMBNSA-N |
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| XLogP | 6.68 |
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| TPSA | 48.51 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 365.57 |
| LogP ≤ 5 | 6.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene?
The IUPAC name of N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene (CID 143915901) is N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene.
What is the SMILES notation for N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene?
The canonical SMILES for N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene is C=C(C)/C(=N\C=N\C)c1ccc(C(C)(C)C#N)cc1.C=CC.CC=C(C)C.
What is the InChIKey of N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene?
The InChIKey is VYOHIOJWWOEGBC-ZVQIDMBNSA-N. The full InChI is InChI=1S/C16H19N3.C5H10.C3H6/c1-12(2)15(19-11-18-5)13-6-8-14(9-7-13)16(3,4)10-17;1-4-5(2)3;1-3-2/h6-9,11H,1H2,2-5H3;4H,1-3H3;3H,1H2,2H3/b18-11+,19-15+;;.
What are the key properties of N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene?
N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene has a molecular weight of 365.57 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-cyanopropan-2-yl)phenyl]-2-methylprop-2-enylidene]-N'-methylmethanimidamide;2-methylbut-2-ene;prop-1-ene is sourced from PubChem (CID 143915901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).