1-tert-butyl-4-diazocyclohexane

C10H18N2 — CID 15412969

IUPAC1-tert-butyl-4-diazocyclohexane
SMILESCC(C)(C)C1CCC(=[N+]=[N-])CC1
InChIInChI=1S/C10H18N2/c1-10(2,3)8-4-6-9(12-11)7-5-8/h8H,4-7H2,1-3H3
InChIKeyWINWECPXMHVUMS-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.89
Rot. Bonds

About 1-tert-butyl-4-diazocyclohexane

1-tert-butyl-4-diazocyclohexane (PubChem CID 15412969) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-tert-butyl-4-diazocyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-diazocyclohexane
PubChem CID15412969
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-tert-butyl-4-diazocyclohexane
SMILESCC(C)(C)C1CCC(=[N+]=[N-])CC1
InChIInChI=1S/C10H18N2/c1-10(2,3)8-4-6-9(12-11)7-5-8/h8H,4-7H2,1-3H3
InChIKeyWINWECPXMHVUMS-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 1-tert-butyl-4-diazocyclohexane?
The IUPAC name of 1-tert-butyl-4-diazocyclohexane (CID 15412969) is 1-tert-butyl-4-diazocyclohexane.
What is the SMILES notation for 1-tert-butyl-4-diazocyclohexane?
The canonical SMILES for 1-tert-butyl-4-diazocyclohexane is CC(C)(C)C1CCC(=[N+]=[N-])CC1.
What is the InChIKey of 1-tert-butyl-4-diazocyclohexane?
The InChIKey is WINWECPXMHVUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)8-4-6-9(12-11)7-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-diazocyclohexane?
1-tert-butyl-4-diazocyclohexane 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 1-tert-butyl-4-diazocyclohexane is sourced from PubChem (CID 15412969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).