2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide

C44H84N4O — CID 139508910

About 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide

2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide (PubChem CID 139508910) has the molecular formula C44H84N4O and a molecular weight of 685.18 g/mol. Its IUPAC name is 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide.

Molecular Properties

• Compound Name: 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide
• PubChem CID: 139508910
• Molecular Formula: C44H84N4O
• Molecular Weight: 685.18 g/mol
• Exact Mass: 684.66
• IUPAC Name: 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide
• SMILES: CCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCC/C=C\C/C=C\CCCCC)NC(=O)C(N)CCCCN(C)C
• InChI: InChI=1S/C44H84N4O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-41-48(46-44(49)43(45)39-35-38-40-47(3)4)42-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,43H,5-12,17-18,23-42,45H2,1-4H3,(H,46,49)/b15-13-,16-14-,21-19-,22-20-
• InChIKey: CMZVMMOUEVEBNB-KWXKLSQISA-N
• XLogP: 12.01
• TPSA: 61.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 37
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.18
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide?

The IUPAC name of 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide (CID 139508910) is 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide.

What is the SMILES notation for 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide?

The canonical SMILES for 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide is CCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCC/C=C\C/C=C\CCCCC)NC(=O)C(N)CCCCN(C)C.

What is the InChIKey of 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide?

The InChIKey is CMZVMMOUEVEBNB-KWXKLSQISA-N. The full InChI is InChI=1S/C44H84N4O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-41-48(46-44(49)43(45)39-35-38-40-47(3)4)42-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,43H,5-12,17-18,23-42,45H2,1-4H3,(H,46,49)/b15-13-,16-14-,21-19-,22-20-.

What are the key properties of 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide?

2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide has a molecular weight of 685.18 g/mol, XLogP of 12.01, 37 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-(dimethylamino)-N',N'-bis[(9Z,12Z)-octadeca-9,12-dienyl]hexanehydrazide is sourced from PubChem (CID 139508910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).