1-cyclohexyl-3,3-dimethyldiaziridine

C9H18N2 — CID 71679608

IUPAC1-cyclohexyl-3,3-dimethyldiaziridine
SMILESCC1(C)NN1C1CCCCC1
InChIInChI=1S/C9H18N2/c1-9(2)10-11(9)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3
InChIKeyHNEUCJXPPJPDCS-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.88
Rot. Bonds1

About 1-cyclohexyl-3,3-dimethyldiaziridine

1-cyclohexyl-3,3-dimethyldiaziridine (PubChem CID 71679608) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-dimethyldiaziridine.

Molecular Properties

Compound Name1-cyclohexyl-3,3-dimethyldiaziridine
PubChem CID71679608
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-cyclohexyl-3,3-dimethyldiaziridine
SMILESCC1(C)NN1C1CCCCC1
InChIInChI=1S/C9H18N2/c1-9(2)10-11(9)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3
InChIKeyHNEUCJXPPJPDCS-UHFFFAOYSA-N
XLogP1.88
TPSA24.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-dimethyldiaziridine?
The IUPAC name of 1-cyclohexyl-3,3-dimethyldiaziridine (CID 71679608) is 1-cyclohexyl-3,3-dimethyldiaziridine.
What is the SMILES notation for 1-cyclohexyl-3,3-dimethyldiaziridine?
The canonical SMILES for 1-cyclohexyl-3,3-dimethyldiaziridine is CC1(C)NN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,3-dimethyldiaziridine?
The InChIKey is HNEUCJXPPJPDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2)10-11(9)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-3,3-dimethyldiaziridine?
1-cyclohexyl-3,3-dimethyldiaziridine has a molecular weight of 154.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-dimethyldiaziridine is sourced from PubChem (CID 71679608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).