2-diazo-1,1,3,3-tetramethylcyclohexane

C10H18N2 — CID 13212158

IUPAC2-diazo-1,1,3,3-tetramethylcyclohexane
SMILESCC1(C)CCCC(C)(C)C1=[N+]=[N-]
InChIInChI=1S/C10H18N2/c1-9(2)6-5-7-10(3,4)8(9)12-11/h5-7H2,1-4H3
InChIKeyDSZJYJMSPIKXFQ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.89
Rot. Bonds

About 2-diazo-1,1,3,3-tetramethylcyclohexane

2-diazo-1,1,3,3-tetramethylcyclohexane (PubChem CID 13212158) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-diazo-1,1,3,3-tetramethylcyclohexane.

Molecular Properties

Compound Name2-diazo-1,1,3,3-tetramethylcyclohexane
PubChem CID13212158
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-diazo-1,1,3,3-tetramethylcyclohexane
SMILESCC1(C)CCCC(C)(C)C1=[N+]=[N-]
InChIInChI=1S/C10H18N2/c1-9(2)6-5-7-10(3,4)8(9)12-11/h5-7H2,1-4H3
InChIKeyDSZJYJMSPIKXFQ-UHFFFAOYSA-N
XLogP2.89
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.89
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-tetramethylcyclohexane?
The IUPAC name of 2-diazo-1,1,3,3-tetramethylcyclohexane (CID 13212158) is 2-diazo-1,1,3,3-tetramethylcyclohexane.
What is the SMILES notation for 2-diazo-1,1,3,3-tetramethylcyclohexane?
The canonical SMILES for 2-diazo-1,1,3,3-tetramethylcyclohexane is CC1(C)CCCC(C)(C)C1=[N+]=[N-].
What is the InChIKey of 2-diazo-1,1,3,3-tetramethylcyclohexane?
The InChIKey is DSZJYJMSPIKXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)6-5-7-10(3,4)8(9)12-11/h5-7H2,1-4H3.
What are the key properties of 2-diazo-1,1,3,3-tetramethylcyclohexane?
2-diazo-1,1,3,3-tetramethylcyclohexane has a molecular weight of 166.27 g/mol, XLogP of 2.89, 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-tetramethylcyclohexane is sourced from PubChem (CID 13212158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).