About 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene
5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene (PubChem CID 143587042) has the molecular formula C28H61N3
and a molecular weight of 439.82 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene.
Molecular Properties
| Compound Name | 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene |
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| PubChem CID | 143587042 |
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| Molecular Formula | C28H61N3 |
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| Molecular Weight | 439.82 g/mol |
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| Exact Mass | 439.49 |
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| IUPAC Name | 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene |
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| SMILES | C=CC.C=CC(=C)C(CCCCNC)CC1CCC1.C=CN.CC(C)C.CCC.CN |
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| InChI | InChI=1S/C15H27N.C4H10.C3H8.C3H6.C2H5N.CH5N/c1-4-13(2)15(10-5-6-11-16-3)12-14-8-7-9-14;1-4(2)3;2*1-3-2;1-2-3;1-2/h4,14-16H,1-2,5-12H2,3H3;4H,1-3H3;3H2,1-2H3;3H,1H2,2H3;2H,1,3H2;2H2,1H3 |
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| InChIKey | RLXOVSWHSAQHHU-UHFFFAOYSA-N |
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| XLogP | 7.86 |
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| TPSA | 64.07 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 439.82 |
| LogP ≤ 5 | 7.86 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene?
The IUPAC name of 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene (CID 143587042) is 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene.
What is the SMILES notation for 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene?
The canonical SMILES for 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene is C=CC.C=CC(=C)C(CCCCNC)CC1CCC1.C=CN.CC(C)C.CCC.CN.
What is the InChIKey of 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene?
The InChIKey is RLXOVSWHSAQHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N.C4H10.C3H8.C3H6.C2H5N.CH5N/c1-4-13(2)15(10-5-6-11-16-3)12-14-8-7-9-14;1-4(2)3;2*1-3-2;1-2-3;1-2/h4,14-16H,1-2,5-12H2,3H3;4H,1-3H3;3H2,1-2H3;3H,1H2,2H3;2H,1,3H2;2H2,1H3.
What are the key properties of 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene?
5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene has a molecular weight of 439.82 g/mol, XLogP of 7.86, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine;ethenamine;methanamine;2-methylpropane;propane;prop-1-ene is sourced from PubChem (CID 143587042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).