2-diazoadamantane

C10H14N2 — CID 560893

IUPAC2-diazoadamantane
SMILES[N-]=[N+]=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H14N2/c11-12-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
InChIKeyYLUADXJKFSVCDQ-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.11
Rot. Bonds

About 2-diazoadamantane

2-diazoadamantane (PubChem CID 560893) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-diazoadamantane.

Molecular Properties

Compound Name2-diazoadamantane
PubChem CID560893
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-diazoadamantane
SMILES[N-]=[N+]=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H14N2/c11-12-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
InChIKeyYLUADXJKFSVCDQ-UHFFFAOYSA-N
XLogP2.11
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.11
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-diazoadamantane?
The IUPAC name of 2-diazoadamantane (CID 560893) is 2-diazoadamantane.
What is the SMILES notation for 2-diazoadamantane?
The canonical SMILES for 2-diazoadamantane is [N-]=[N+]=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-diazoadamantane?
The InChIKey is YLUADXJKFSVCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-12-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2.
What are the key properties of 2-diazoadamantane?
2-diazoadamantane has a molecular weight of 162.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazoadamantane is sourced from PubChem (CID 560893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).