2-[2-adamantyl(diazo)methyl]adamantane

C21H30N2 — CID 137408771

IUPAC2-[2-adamantyl(diazo)methyl]adamantane
SMILES[N-]=[N+]=C(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H30N2/c22-23-21(19-15-3-11-1-12(5-15)6-16(19)4-11)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyCEMQSRHCJDQBHT-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.80
Rot. Bonds2

About 2-[2-adamantyl(diazo)methyl]adamantane

2-[2-adamantyl(diazo)methyl]adamantane (PubChem CID 137408771) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 2-[2-adamantyl(diazo)methyl]adamantane.

Molecular Properties

Compound Name2-[2-adamantyl(diazo)methyl]adamantane
PubChem CID137408771
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name2-[2-adamantyl(diazo)methyl]adamantane
SMILES[N-]=[N+]=C(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H30N2/c22-23-21(19-15-3-11-1-12(5-15)6-16(19)4-11)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyCEMQSRHCJDQBHT-UHFFFAOYSA-N
XLogP4.80
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-adamantyl(diazo)methyl]adamantane?
The IUPAC name of 2-[2-adamantyl(diazo)methyl]adamantane (CID 137408771) is 2-[2-adamantyl(diazo)methyl]adamantane.
What is the SMILES notation for 2-[2-adamantyl(diazo)methyl]adamantane?
The canonical SMILES for 2-[2-adamantyl(diazo)methyl]adamantane is [N-]=[N+]=C(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[2-adamantyl(diazo)methyl]adamantane?
The InChIKey is CEMQSRHCJDQBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c22-23-21(19-15-3-11-1-12(5-15)6-16(19)4-11)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2.
What are the key properties of 2-[2-adamantyl(diazo)methyl]adamantane?
2-[2-adamantyl(diazo)methyl]adamantane has a molecular weight of 310.49 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-adamantyl(diazo)methyl]adamantane is sourced from PubChem (CID 137408771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).