About (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine
(3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine (PubChem CID 143721684) has the molecular formula C24H33N3
and a molecular weight of 363.55 g/mol. Its IUPAC name is (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine.
Molecular Properties
| Compound Name | (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine |
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| PubChem CID | 143721684 |
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| Molecular Formula | C24H33N3 |
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| Molecular Weight | 363.55 g/mol |
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| Exact Mass | 363.27 |
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| IUPAC Name | (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine |
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| SMILES | C=N/C(C(=C)NCC1CCCCC1)=C1/C=CC=CN1CC1=CCCC(C)=C1 |
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| InChI | InChI=1S/C24H33N3/c1-19-10-9-13-22(16-19)18-27-15-8-7-14-23(27)24(25-3)20(2)26-17-21-11-5-4-6-12-21/h7-8,13-16,21,26H,2-6,9-12,17-18H2,1H3/b24-23- |
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| InChIKey | DGXOEHHPVJYIIV-VHXPQNKSSA-N |
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| XLogP | 5.63 |
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| TPSA | 27.63 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 7 |
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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 | 363.55 |
| LogP ≤ 5 | 5.63 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Analyze (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine?
The IUPAC name of (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine (CID 143721684) is (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine.
What is the SMILES notation for (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine?
The canonical SMILES for (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine is C=N/C(C(=C)NCC1CCCCC1)=C1/C=CC=CN1CC1=CCCC(C)=C1.
What is the InChIKey of (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine?
The InChIKey is DGXOEHHPVJYIIV-VHXPQNKSSA-N. The full InChI is InChI=1S/C24H33N3/c1-19-10-9-13-22(16-19)18-27-15-8-7-14-23(27)24(25-3)20(2)26-17-21-11-5-4-6-12-21/h7-8,13-16,21,26H,2-6,9-12,17-18H2,1H3/b24-23-.
What are the key properties of (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine?
(3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine has a molecular weight of 363.55 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(cyclohexylmethyl)-3-[1-[(5-methylcyclohexa-1,5-dien-1-yl)methyl]-2-pyridinylidene]-3-(methylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 143721684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).