bis(1-adamantyl)methylidenehydrazine

C21H32N2 — CID 12526702

IUPACbis(1-adamantyl)methylidenehydrazine
SMILESNN=C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H32N2/c22-23-19(20-7-13-1-14(8-20)3-15(2-13)9-20)21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12,22H2
InChIKeyZYOSEKINWBENGF-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.73
Rot. Bonds2

About bis(1-adamantyl)methylidenehydrazine

bis(1-adamantyl)methylidenehydrazine (PubChem CID 12526702) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is bis(1-adamantyl)methylidenehydrazine.

Molecular Properties

Compound Namebis(1-adamantyl)methylidenehydrazine
PubChem CID12526702
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Namebis(1-adamantyl)methylidenehydrazine
SMILESNN=C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H32N2/c22-23-19(20-7-13-1-14(8-20)3-15(2-13)9-20)21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12,22H2
InChIKeyZYOSEKINWBENGF-UHFFFAOYSA-N
XLogP4.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 bis(1-adamantyl)methylidenehydrazine?
The IUPAC name of bis(1-adamantyl)methylidenehydrazine (CID 12526702) is bis(1-adamantyl)methylidenehydrazine.
What is the SMILES notation for bis(1-adamantyl)methylidenehydrazine?
The canonical SMILES for bis(1-adamantyl)methylidenehydrazine is NN=C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of bis(1-adamantyl)methylidenehydrazine?
The InChIKey is ZYOSEKINWBENGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c22-23-19(20-7-13-1-14(8-20)3-15(2-13)9-20)21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12,22H2.
What are the key properties of bis(1-adamantyl)methylidenehydrazine?
bis(1-adamantyl)methylidenehydrazine has a molecular weight of 312.50 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantyl)methylidenehydrazine is sourced from PubChem (CID 12526702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).