1-cyclohexyl-2,2,3-trimethylaziridine

C11H21N — CID 14812964

IUPAC1-cyclohexyl-2,2,3-trimethylaziridine
SMILESCC1N(C2CCCCC2)C1(C)C
InChIInChI=1S/C11H21N/c1-9-11(2,3)12(9)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyYHBHXBFIEXROQQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.80
Rot. Bonds1

About 1-cyclohexyl-2,2,3-trimethylaziridine

1-cyclohexyl-2,2,3-trimethylaziridine (PubChem CID 14812964) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-cyclohexyl-2,2,3-trimethylaziridine.

Molecular Properties

Compound Name1-cyclohexyl-2,2,3-trimethylaziridine
PubChem CID14812964
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-cyclohexyl-2,2,3-trimethylaziridine
SMILESCC1N(C2CCCCC2)C1(C)C
InChIInChI=1S/C11H21N/c1-9-11(2,3)12(9)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyYHBHXBFIEXROQQ-UHFFFAOYSA-N
XLogP2.80
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2,2,3-trimethylaziridine?
The IUPAC name of 1-cyclohexyl-2,2,3-trimethylaziridine (CID 14812964) is 1-cyclohexyl-2,2,3-trimethylaziridine.
What is the SMILES notation for 1-cyclohexyl-2,2,3-trimethylaziridine?
The canonical SMILES for 1-cyclohexyl-2,2,3-trimethylaziridine is CC1N(C2CCCCC2)C1(C)C.
What is the InChIKey of 1-cyclohexyl-2,2,3-trimethylaziridine?
The InChIKey is YHBHXBFIEXROQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9-11(2,3)12(9)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-cyclohexyl-2,2,3-trimethylaziridine?
1-cyclohexyl-2,2,3-trimethylaziridine has a molecular weight of 167.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2,3-trimethylaziridine is sourced from PubChem (CID 14812964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).