1-(1-diazo-2,2-dimethylpropyl)adamantane

C15H24N2 — CID 101112064

IUPAC1-(1-diazo-2,2-dimethylpropyl)adamantane
SMILESCC(C)(C)C(=[N+]=[N-])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2/c1-14(2,3)13(17-16)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3
InChIKeyFGZGLQDNCKGKOE-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.92
Rot. Bonds1

About 1-(1-diazo-2,2-dimethylpropyl)adamantane

1-(1-diazo-2,2-dimethylpropyl)adamantane (PubChem CID 101112064) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(1-diazo-2,2-dimethylpropyl)adamantane.

Molecular Properties

Compound Name1-(1-diazo-2,2-dimethylpropyl)adamantane
PubChem CID101112064
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(1-diazo-2,2-dimethylpropyl)adamantane
SMILESCC(C)(C)C(=[N+]=[N-])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2/c1-14(2,3)13(17-16)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3
InChIKeyFGZGLQDNCKGKOE-UHFFFAOYSA-N
XLogP3.92
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.92
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'}

Analyze 1-(1-diazo-2,2-dimethylpropyl)adamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-adamantyl(diazo)methyl]adamantane
CID 12035684
1-[diazo(phenyl)methyl]adamantane
CID 102002808
N'-tert-butyladamantane-1-carboximidamide
CID 63181228
1-(1-adamantyl)ethylidenezirconium(2+)
CID 87775004
1-(1-adamantyl)-2,2-dimethylbutan-1-one
CID 123820208
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
1-[1-(1-adamantyl)ethenyl]adamantane
CID 14316817
bis(1-adamantyl)methanimine
CID 87876115
1-(1-adamantyl)-2-chloropropan-1-one
CID 87401227
N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide
CID 10868753
[5-(adamantane-1-carbonyloxy)-2,5-dimethylhexan-2-yl] adamantane-1-carboxylate
CID 15476348
acetic acid;adamantane-1-carboxylic acid
CID 67530595

Frequently Asked Questions

What is the IUPAC name of 1-(1-diazo-2,2-dimethylpropyl)adamantane?
The IUPAC name of 1-(1-diazo-2,2-dimethylpropyl)adamantane (CID 101112064) is 1-(1-diazo-2,2-dimethylpropyl)adamantane.
What is the SMILES notation for 1-(1-diazo-2,2-dimethylpropyl)adamantane?
The canonical SMILES for 1-(1-diazo-2,2-dimethylpropyl)adamantane is CC(C)(C)C(=[N+]=[N-])C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-diazo-2,2-dimethylpropyl)adamantane?
The InChIKey is FGZGLQDNCKGKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(2,3)13(17-16)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(1-diazo-2,2-dimethylpropyl)adamantane?
1-(1-diazo-2,2-dimethylpropyl)adamantane has a molecular weight of 232.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diazo-2,2-dimethylpropyl)adamantane is sourced from PubChem (CID 101112064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).