5,7-dimethyladamantane-1,3-dicarbohydrazide

C14H24N4O2 — CID 4171850

IUPAC5,7-dimethyladamantane-1,3-dicarbohydrazide
SMILESCC12CC3(C)CC(C(=O)NN)(C1)CC(C(=O)NN)(C2)C3
InChIInChI=1S/C14H24N4O2/c1-11-3-12(2)6-13(4-11,9(19)17-15)8-14(5-11,7-12)10(20)18-16/h3-8,15-16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBHURDCUZTVXINH-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.33
Rot. Bonds2

About 5,7-dimethyladamantane-1,3-dicarbohydrazide

5,7-dimethyladamantane-1,3-dicarbohydrazide (PubChem CID 4171850) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5,7-dimethyladamantane-1,3-dicarbohydrazide.

Molecular Properties

Compound Name5,7-dimethyladamantane-1,3-dicarbohydrazide
PubChem CID4171850
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5,7-dimethyladamantane-1,3-dicarbohydrazide
SMILESCC12CC3(C)CC(C(=O)NN)(C1)CC(C(=O)NN)(C2)C3
InChIInChI=1S/C14H24N4O2/c1-11-3-12(2)6-13(4-11,9(19)17-15)8-14(5-11,7-12)10(20)18-16/h3-8,15-16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBHURDCUZTVXINH-UHFFFAOYSA-N
XLogP0.33
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-Ethyladamantane-1-carbonyl)amino]urea
CID 2843331
Adamantane-1-carbohydrazide
CID 337203
1-Adamantaneacetic hydrazide
CID 703003
Methyl 2-(1-adamantylcarbonyl)hydrazinecarboxylate
CID 3920722
N'-(adamantane-1-carbonyl)adamantane-1-carbohydrazide
CID 337204
3,5,7-Trimethyl-1-adamantanecarbohydrazide
CID 2831263
1-(3,5-Dimethyl-1-adamantanoyl)semicarbazide
CID 541477
3,5-Dimethyladamantanecarbohydrazide
CID 2802829
3-Isopropyl-1-adamantanecarbohydrazide
CID 2802831
[[2-(3-Methyl-1-adamantyl)acetyl]amino]urea
CID 4388386
[[2-(3,5-Dimethyl-1-adamantyl)acetyl]amino]urea
CID 3417214
2-(3,5-Dimethyladamantanyl)acetohydrazide
CID 45156686

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyladamantane-1,3-dicarbohydrazide?
The IUPAC name of 5,7-dimethyladamantane-1,3-dicarbohydrazide (CID 4171850) is 5,7-dimethyladamantane-1,3-dicarbohydrazide.
What is the SMILES notation for 5,7-dimethyladamantane-1,3-dicarbohydrazide?
The canonical SMILES for 5,7-dimethyladamantane-1,3-dicarbohydrazide is CC12CC3(C)CC(C(=O)NN)(C1)CC(C(=O)NN)(C2)C3.
What is the InChIKey of 5,7-dimethyladamantane-1,3-dicarbohydrazide?
The InChIKey is BHURDCUZTVXINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-3-12(2)6-13(4-11,9(19)17-15)8-14(5-11,7-12)10(20)18-16/h3-8,15-16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 5,7-dimethyladamantane-1,3-dicarbohydrazide?
5,7-dimethyladamantane-1,3-dicarbohydrazide has a molecular weight of 280.37 g/mol, XLogP of 0.33, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyladamantane-1,3-dicarbohydrazide is sourced from PubChem (CID 4171850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).