2-(2-cyclohexylpropan-2-yl)aziridine

C11H21N — CID 126516517

IUPAC2-(2-cyclohexylpropan-2-yl)aziridine
SMILESCC(C)(C1CCCCC1)C1CN1
InChIInChI=1S/C11H21N/c1-11(2,10-8-12-10)9-6-4-3-5-7-9/h9-10,12H,3-8H2,1-2H3
InChIKeyKNTYRNNVAWBXFX-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.56
Rot. Bonds2

About 2-(2-cyclohexylpropan-2-yl)aziridine

2-(2-cyclohexylpropan-2-yl)aziridine (PubChem CID 126516517) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-(2-cyclohexylpropan-2-yl)aziridine.

Molecular Properties

Compound Name2-(2-cyclohexylpropan-2-yl)aziridine
PubChem CID126516517
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-(2-cyclohexylpropan-2-yl)aziridine
SMILESCC(C)(C1CCCCC1)C1CN1
InChIInChI=1S/C11H21N/c1-11(2,10-8-12-10)9-6-4-3-5-7-9/h9-10,12H,3-8H2,1-2H3
InChIKeyKNTYRNNVAWBXFX-UHFFFAOYSA-N
XLogP2.56
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.56
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

2-cyclohexylpropan-2-ylcyclohexane;ethane;methanethiol
CID 144841343
tert-butylcyclopentadecane
CID 164774831
1-(2-cyclohexylpropan-2-yl)-2-propan-2-ylcyclohexane
CID 154060450
4-(2-cyclohexylpropan-2-yl)cyclohexan-1-ol
CID 19694020
2,3,4-trimethylpentan-3-ylcyclohexane
CID 140706198
(4-cyclohexyl-2,3,3,4-tetramethylpentan-2-yl)cyclohexane
CID 20659537
2-cyclononadecylpropan-2-ol
CID 126587376
CID 173025587
CID 173025587
1-cyclooctylethane-1,1-diol
CID 22410754
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
2-cyclooctylpropan-2-ol
CID 27966

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylpropan-2-yl)aziridine?
The IUPAC name of 2-(2-cyclohexylpropan-2-yl)aziridine (CID 126516517) is 2-(2-cyclohexylpropan-2-yl)aziridine.
What is the SMILES notation for 2-(2-cyclohexylpropan-2-yl)aziridine?
The canonical SMILES for 2-(2-cyclohexylpropan-2-yl)aziridine is CC(C)(C1CCCCC1)C1CN1.
What is the InChIKey of 2-(2-cyclohexylpropan-2-yl)aziridine?
The InChIKey is KNTYRNNVAWBXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,10-8-12-10)9-6-4-3-5-7-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-(2-cyclohexylpropan-2-yl)aziridine?
2-(2-cyclohexylpropan-2-yl)aziridine has a molecular weight of 167.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylpropan-2-yl)aziridine is sourced from PubChem (CID 126516517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).