About N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine
N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine (PubChem CID 87646287) has the molecular formula C38H77N7
and a molecular weight of 632.08 g/mol. Its IUPAC name is N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine.
Molecular Properties
| Compound Name | N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine |
|---|
| PubChem CID | 87646287 |
|---|
| Molecular Formula | C38H77N7 |
|---|
| Molecular Weight | 632.08 g/mol |
|---|
| Exact Mass | 631.62 |
|---|
| IUPAC Name | N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine |
|---|
| SMILES | CCCC=C(CCCCCCCCC=NNNN)CC(C)C/C(C)=N/CCCCCCNCCCCCC/N=C(\C)CC(C)C |
|---|
| InChI | InChI=1S/C38H77N7/c1-7-8-24-38(25-18-12-10-9-11-13-23-30-43-45-44-39)33-35(4)32-37(6)42-29-22-17-15-20-27-40-26-19-14-16-21-28-41-36(5)31-34(2)3/h24,30,34-35,40,44-45H,7-23,25-29,31-33,39H2,1-6H3/b38-24?,41-36+,42-37+,43-30? |
|---|
| InChIKey | HAITURZIIBTUCX-MFDOUHHLSA-N |
|---|
| XLogP | 9.88 |
|---|
| TPSA | 99.19 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 33 |
|---|
| Heavy Atoms | 45 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 632.08 |
| LogP ≤ 5 | 9.88 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-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 N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine?
The IUPAC name of N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine (CID 87646287) is N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine.
What is the SMILES notation for N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine?
The canonical SMILES for N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine is CCCC=C(CCCCCCCCC=NNNN)CC(C)C/C(C)=N/CCCCCCNCCCCCC/N=C(\C)CC(C)C.
What is the InChIKey of N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine?
The InChIKey is HAITURZIIBTUCX-MFDOUHHLSA-N. The full InChI is InChI=1S/C38H77N7/c1-7-8-24-38(25-18-12-10-9-11-13-23-30-43-45-44-39)33-35(4)32-37(6)42-29-22-17-15-20-27-40-26-19-14-16-21-28-41-36(5)31-34(2)3/h24,30,34-35,40,44-45H,7-23,25-29,31-33,39H2,1-6H3/b38-24?,41-36+,42-37+,43-30?.
What are the key properties of N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine?
N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine has a molecular weight of 632.08 g/mol, XLogP of 9.88, 33 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine is sourced from PubChem (CID 87646287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).