1-tert-butyl-2-(2-phenylethyl)aziridine

C14H21N — CID 155929239

IUPAC1-tert-butyl-2-(2-phenylethyl)aziridine
SMILESCC(C)(C)N1CC1CCc1ccccc1
InChIInChI=1S/C14H21N/c1-14(2,3)15-11-13(15)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyVNTFZKIBAJEXIX-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.10
Rot. Bonds3

About 1-tert-butyl-2-(2-phenylethyl)aziridine

1-tert-butyl-2-(2-phenylethyl)aziridine (PubChem CID 155929239) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-phenylethyl)aziridine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-phenylethyl)aziridine
PubChem CID155929239
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-tert-butyl-2-(2-phenylethyl)aziridine
SMILESCC(C)(C)N1CC1CCc1ccccc1
InChIInChI=1S/C14H21N/c1-14(2,3)15-11-13(15)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyVNTFZKIBAJEXIX-UHFFFAOYSA-N
XLogP3.10
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.10
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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Related Compounds

(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
CID 44598246
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine
CID 142660934
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265
2-benzyl-1-tert-butylpyrrolidine
CID 44597926
5-(2-phenylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79496533
(2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine
CID 11964187
1,4-dimethyl-2-(2-phenylethyl)-3,6-dihydro-2H-pyridine
CID 58123984
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
2-phenylethylcyclooctane
CID 54073487
(3R)-3-benzyl-4-tert-butylmorpholine
CID 138601634
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-phenylethyl)aziridine?
The IUPAC name of 1-tert-butyl-2-(2-phenylethyl)aziridine (CID 155929239) is 1-tert-butyl-2-(2-phenylethyl)aziridine.
What is the SMILES notation for 1-tert-butyl-2-(2-phenylethyl)aziridine?
The canonical SMILES for 1-tert-butyl-2-(2-phenylethyl)aziridine is CC(C)(C)N1CC1CCc1ccccc1.
What is the InChIKey of 1-tert-butyl-2-(2-phenylethyl)aziridine?
The InChIKey is VNTFZKIBAJEXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-14(2,3)15-11-13(15)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3.
What are the key properties of 1-tert-butyl-2-(2-phenylethyl)aziridine?
1-tert-butyl-2-(2-phenylethyl)aziridine has a molecular weight of 203.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-phenylethyl)aziridine is sourced from PubChem (CID 155929239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).