2-cyclohexylaziridine

C8H15N — CID 14342017

IUPAC2-cyclohexylaziridine
SMILESC1CCC(C2CN2)CC1
InChIInChI=1S/C8H15N/c1-2-4-7(5-3-1)8-6-9-8/h7-9H,1-6H2
InChIKeyYQVZLVXTBKNYNY-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.54
Rot. Bonds1

About 2-cyclohexylaziridine

2-cyclohexylaziridine (PubChem CID 14342017) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2-cyclohexylaziridine.

Molecular Properties

Compound Name2-cyclohexylaziridine
PubChem CID14342017
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2-cyclohexylaziridine
SMILESC1CCC(C2CN2)CC1
InChIInChI=1S/C8H15N/c1-2-4-7(5-3-1)8-6-9-8/h7-9H,1-6H2
InChIKeyYQVZLVXTBKNYNY-UHFFFAOYSA-N
XLogP1.54
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-cyclohexylpiperidine
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CID 23282830
2-cyclopentyl-4-fluoropyrrolidine;hydrochloride
CID 115019680
2-cycloheptylpiperidine;hydrochloride
CID 115030388
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylaziridine?
The IUPAC name of 2-cyclohexylaziridine (CID 14342017) is 2-cyclohexylaziridine.
What is the SMILES notation for 2-cyclohexylaziridine?
The canonical SMILES for 2-cyclohexylaziridine is C1CCC(C2CN2)CC1.
What is the InChIKey of 2-cyclohexylaziridine?
The InChIKey is YQVZLVXTBKNYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-4-7(5-3-1)8-6-9-8/h7-9H,1-6H2.
What are the key properties of 2-cyclohexylaziridine?
2-cyclohexylaziridine has a molecular weight of 125.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylaziridine is sourced from PubChem (CID 14342017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).