cyclohexane;1H-diazirine

C7H14N2 — CID 22118141

IUPACcyclohexane;1H-diazirine
SMILESC1=NN1.C1CCCCC1
InChIInChI=1S/C6H12.CH2N2/c1-2-4-6-5-3-1;1-2-3-1/h1-6H2;1H,(H,2,3)
InChIKeyYDAFZHRGSXBOTM-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.87
Rot. Bonds

About cyclohexane;1H-diazirine

cyclohexane;1H-diazirine (PubChem CID 22118141) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is cyclohexane;1H-diazirine.

Molecular Properties

Compound Namecyclohexane;1H-diazirine
PubChem CID22118141
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namecyclohexane;1H-diazirine
SMILESC1=NN1.C1CCCCC1
InChIInChI=1S/C6H12.CH2N2/c1-2-4-6-5-3-1;1-2-3-1/h1-6H2;1H,(H,2,3)
InChIKeyYDAFZHRGSXBOTM-UHFFFAOYSA-N
XLogP1.87
TPSA34.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;1H-diazirine?
The IUPAC name of cyclohexane;1H-diazirine (CID 22118141) is cyclohexane;1H-diazirine.
What is the SMILES notation for cyclohexane;1H-diazirine?
The canonical SMILES for cyclohexane;1H-diazirine is C1=NN1.C1CCCCC1.
What is the InChIKey of cyclohexane;1H-diazirine?
The InChIKey is YDAFZHRGSXBOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.CH2N2/c1-2-4-6-5-3-1;1-2-3-1/h1-6H2;1H,(H,2,3).
What are the key properties of cyclohexane;1H-diazirine?
cyclohexane;1H-diazirine has a molecular weight of 126.20 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1H-diazirine is sourced from PubChem (CID 22118141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).