About (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine
(3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine (PubChem CID 155441586) has the molecular formula C28H49F2N
and a molecular weight of 437.70 g/mol. Its IUPAC name is (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine.
Molecular Properties
| Compound Name | (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine |
|---|
| PubChem CID | 155441586 |
|---|
| Molecular Formula | C28H49F2N |
|---|
| Molecular Weight | 437.70 g/mol |
|---|
| Exact Mass | 437.38 |
|---|
| IUPAC Name | (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine |
|---|
| SMILES | C=C(/C=C(/C(CCC)C(C)CCC)N(C(=C)C(C)CC)/C(=C\C(C)CC)CC)C(F)F |
|---|
| InChI | InChI=1S/C28H49F2N/c1-11-16-22(8)26(17-12-2)27(19-23(9)28(29)30)31(24(10)21(7)14-4)25(15-5)18-20(6)13-3/h18-22,26,28H,9-17H2,1-8H3/b25-18-,27-19- |
|---|
| InChIKey | KFSXKIPRPBCIGR-WNXRLAPXSA-N |
|---|
| XLogP | 9.75 |
|---|
| TPSA | 3.24 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | 16 |
|---|
| Heavy Atoms | 31 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 437.70 |
| LogP ≤ 5 | 9.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'polyene', 'substructure': 'N/A'} |
|---|
Analyze (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine?
The IUPAC name of (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine (CID 155441586) is (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine.
What is the SMILES notation for (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine?
The canonical SMILES for (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine is C=C(/C=C(/C(CCC)C(C)CCC)N(C(=C)C(C)CC)/C(=C\C(C)CC)CC)C(F)F.
What is the InChIKey of (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine?
The InChIKey is KFSXKIPRPBCIGR-WNXRLAPXSA-N. The full InChI is InChI=1S/C28H49F2N/c1-11-16-22(8)26(17-12-2)27(19-23(9)28(29)30)31(24(10)21(7)14-4)25(15-5)18-20(6)13-3/h18-22,26,28H,9-17H2,1-8H3/b25-18-,27-19-.
What are the key properties of (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine?
(3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine has a molecular weight of 437.70 g/mol, XLogP of 9.75, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine is sourced from PubChem (CID 155441586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).