2-(3,5-dimethyl-1-adamantyl)acetohydrazide

C14H24N2O — CID 45156686

IUPAC2-(3,5-dimethyl-1-adamantyl)acetohydrazide
SMILESCC12CC3CC(C)(C1)CC(CC(=O)NN)(C3)C2
InChIInChI=1S/C14H24N2O/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(17)16-15/h10H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyQSGUTXXGKBGRPA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.36
Rot. Bonds2

About 2-(3,5-dimethyl-1-adamantyl)acetohydrazide

2-(3,5-dimethyl-1-adamantyl)acetohydrazide (PubChem CID 45156686) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)acetohydrazide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)acetohydrazide
PubChem CID45156686
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(3,5-dimethyl-1-adamantyl)acetohydrazide
SMILESCC12CC3CC(C)(C1)CC(CC(=O)NN)(C3)C2
InChIInChI=1S/C14H24N2O/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(17)16-15/h10H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyQSGUTXXGKBGRPA-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze 2-(3,5-dimethyl-1-adamantyl)acetohydrazide 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 2-(3,5-dimethyl-1-adamantyl)acetohydrazide?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)acetohydrazide (CID 45156686) is 2-(3,5-dimethyl-1-adamantyl)acetohydrazide.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)acetohydrazide?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)acetohydrazide is CC12CC3CC(C)(C1)CC(CC(=O)NN)(C3)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)acetohydrazide?
The InChIKey is QSGUTXXGKBGRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(17)16-15/h10H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)acetohydrazide?
2-(3,5-dimethyl-1-adamantyl)acetohydrazide has a molecular weight of 236.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)acetohydrazide is sourced from PubChem (CID 45156686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).