(2S,3S)-1-butyl-2,3-diphenylaziridine

C18H21N — CID 102330733

IUPAC(2S,3S)-1-butyl-2,3-diphenylaziridine
SMILESCCCCN1[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N/c1-2-3-14-19-17(15-10-6-4-7-11-15)18(19)16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3/t17-,18-/m0/s1
InChIKeyBMQSRZWYNLPKBJ-ROUUACIJSA-N
MW251.37 g/mol
LogP4.58
Rot. Bonds5

About (2S,3S)-1-butyl-2,3-diphenylaziridine

(2S,3S)-1-butyl-2,3-diphenylaziridine (PubChem CID 102330733) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S,3S)-1-butyl-2,3-diphenylaziridine.

Molecular Properties

Compound Name(2S,3S)-1-butyl-2,3-diphenylaziridine
PubChem CID102330733
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(2S,3S)-1-butyl-2,3-diphenylaziridine
SMILESCCCCN1[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N/c1-2-3-14-19-17(15-10-6-4-7-11-15)18(19)16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3/t17-,18-/m0/s1
InChIKeyBMQSRZWYNLPKBJ-ROUUACIJSA-N
XLogP4.58
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.58
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

(2R,6S)-1-pentyl-2,6-diphenylpiperidine
CID 132552857
1,3-dibutyl-4,5-dimethyl-2-phenyl-2H-imidazole;hydroiodide
CID 174891978
1-butyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69390224
3-butyl-5-phenylimidazolidin-4-one
CID 83238128
(3R,4R)-2-butyl-3-phenyl-4-phenylsulfanylthiazetidine 1,1-dioxide
CID 10521627
butyl(phenyl)iodanium
CID 87304112
1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388930
1-dodecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69395234
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69390233
1-dodecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388228
1-nonadecyl-2-phenyl-3-undecyl-2H-imidazole
CID 69392101

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-butyl-2,3-diphenylaziridine?
The IUPAC name of (2S,3S)-1-butyl-2,3-diphenylaziridine (CID 102330733) is (2S,3S)-1-butyl-2,3-diphenylaziridine.
What is the SMILES notation for (2S,3S)-1-butyl-2,3-diphenylaziridine?
The canonical SMILES for (2S,3S)-1-butyl-2,3-diphenylaziridine is CCCCN1[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-1-butyl-2,3-diphenylaziridine?
The InChIKey is BMQSRZWYNLPKBJ-ROUUACIJSA-N. The full InChI is InChI=1S/C18H21N/c1-2-3-14-19-17(15-10-6-4-7-11-15)18(19)16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-1-butyl-2,3-diphenylaziridine?
(2S,3S)-1-butyl-2,3-diphenylaziridine has a molecular weight of 251.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-butyl-2,3-diphenylaziridine is sourced from PubChem (CID 102330733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).