3,5,7-trimethyladamantane-1-carbohydrazide

C14H24N2O — CID 2831263

IUPAC3,5,7-trimethyladamantane-1-carbohydrazide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NN)(C2)C3
InChIInChI=1S/C14H24N2O/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(17)16-15/h4-9,15H2,1-3H3,(H,16,17)
InChIKeyWQISOVSDRNHPJG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.36
Rot. Bonds1

About 3,5,7-trimethyladamantane-1-carbohydrazide

3,5,7-trimethyladamantane-1-carbohydrazide (PubChem CID 2831263) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,5,7-trimethyladamantane-1-carbohydrazide.

Molecular Properties

Compound Name3,5,7-trimethyladamantane-1-carbohydrazide
PubChem CID2831263
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3,5,7-trimethyladamantane-1-carbohydrazide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)NN)(C2)C3
InChIInChI=1S/C14H24N2O/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(17)16-15/h4-9,15H2,1-3H3,(H,16,17)
InChIKeyWQISOVSDRNHPJG-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyladamantane-1-carbohydrazide?
The IUPAC name of 3,5,7-trimethyladamantane-1-carbohydrazide (CID 2831263) is 3,5,7-trimethyladamantane-1-carbohydrazide.
What is the SMILES notation for 3,5,7-trimethyladamantane-1-carbohydrazide?
The canonical SMILES for 3,5,7-trimethyladamantane-1-carbohydrazide is CC12CC3(C)CC(C)(C1)CC(C(=O)NN)(C2)C3.
What is the InChIKey of 3,5,7-trimethyladamantane-1-carbohydrazide?
The InChIKey is WQISOVSDRNHPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(17)16-15/h4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 3,5,7-trimethyladamantane-1-carbohydrazide?
3,5,7-trimethyladamantane-1-carbohydrazide has a molecular weight of 236.36 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyladamantane-1-carbohydrazide is sourced from PubChem (CID 2831263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).