3,5-dimethyladamantane-1-carbohydrazide

C13H22N2O — CID 2802829

IUPAC3,5-dimethyladamantane-1-carbohydrazide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NN)(C3)C2
InChIInChI=1S/C13H22N2O/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(16)15-14/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyBTVHCTDEKNQARW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.97
Rot. Bonds1

About 3,5-dimethyladamantane-1-carbohydrazide

3,5-dimethyladamantane-1-carbohydrazide (PubChem CID 2802829) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,5-dimethyladamantane-1-carbohydrazide.

Molecular Properties

Compound Name3,5-dimethyladamantane-1-carbohydrazide
PubChem CID2802829
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3,5-dimethyladamantane-1-carbohydrazide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NN)(C3)C2
InChIInChI=1S/C13H22N2O/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(16)15-14/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyBTVHCTDEKNQARW-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.97
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-dimethyladamantane-1-carbohydrazide?
The IUPAC name of 3,5-dimethyladamantane-1-carbohydrazide (CID 2802829) is 3,5-dimethyladamantane-1-carbohydrazide.
What is the SMILES notation for 3,5-dimethyladamantane-1-carbohydrazide?
The canonical SMILES for 3,5-dimethyladamantane-1-carbohydrazide is CC12CC3CC(C)(C1)CC(C(=O)NN)(C3)C2.
What is the InChIKey of 3,5-dimethyladamantane-1-carbohydrazide?
The InChIKey is BTVHCTDEKNQARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(16)15-14/h9H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dimethyladamantane-1-carbohydrazide?
3,5-dimethyladamantane-1-carbohydrazide has a molecular weight of 222.33 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyladamantane-1-carbohydrazide is sourced from PubChem (CID 2802829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).