2-diazo-1,1,3,3-tetramethylcycloheptane

C11H20N2 — CID 13212155

IUPAC2-diazo-1,1,3,3-tetramethylcycloheptane
SMILESCC1(C)CCCCC(C)(C)C1=[N+]=[N-]
InChIInChI=1S/C11H20N2/c1-10(2)7-5-6-8-11(3,4)9(10)13-12/h5-8H2,1-4H3
InChIKeyZBLCSODZDUILPP-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.28
Rot. Bonds

About 2-diazo-1,1,3,3-tetramethylcycloheptane

2-diazo-1,1,3,3-tetramethylcycloheptane (PubChem CID 13212155) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-diazo-1,1,3,3-tetramethylcycloheptane.

Molecular Properties

Compound Name2-diazo-1,1,3,3-tetramethylcycloheptane
PubChem CID13212155
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-diazo-1,1,3,3-tetramethylcycloheptane
SMILESCC1(C)CCCCC(C)(C)C1=[N+]=[N-]
InChIInChI=1S/C11H20N2/c1-10(2)7-5-6-8-11(3,4)9(10)13-12/h5-8H2,1-4H3
InChIKeyZBLCSODZDUILPP-UHFFFAOYSA-N
XLogP3.28
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.28
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-diazo-1,1,3,3-tetramethylcycloheptane?
The IUPAC name of 2-diazo-1,1,3,3-tetramethylcycloheptane (CID 13212155) is 2-diazo-1,1,3,3-tetramethylcycloheptane.
What is the SMILES notation for 2-diazo-1,1,3,3-tetramethylcycloheptane?
The canonical SMILES for 2-diazo-1,1,3,3-tetramethylcycloheptane is CC1(C)CCCCC(C)(C)C1=[N+]=[N-].
What is the InChIKey of 2-diazo-1,1,3,3-tetramethylcycloheptane?
The InChIKey is ZBLCSODZDUILPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)7-5-6-8-11(3,4)9(10)13-12/h5-8H2,1-4H3.
What are the key properties of 2-diazo-1,1,3,3-tetramethylcycloheptane?
2-diazo-1,1,3,3-tetramethylcycloheptane has a molecular weight of 180.29 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1,1,3,3-tetramethylcycloheptane is sourced from PubChem (CID 13212155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).