(2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine

C15H21N — CID 101369766

IUPAC(2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine
SMILESC=CC[C@]1(CC)[C@@H](C)N1Cc1ccccc1
InChIInChI=1S/C15H21N/c1-4-11-15(5-2)13(3)16(15)12-14-9-7-6-8-10-14/h4,6-10,13H,1,5,11-12H2,2-3H3/t13-,15-,16?/m1/s1
InChIKeyNTFOCMYAJRIPQF-CWSLVUQWSA-N
MW215.34 g/mol
LogP3.62
Rot. Bonds5

About (2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine

(2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine (PubChem CID 101369766) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine.

Molecular Properties

Compound Name(2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine
PubChem CID101369766
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine
SMILESC=CC[C@]1(CC)[C@@H](C)N1Cc1ccccc1
InChIInChI=1S/C15H21N/c1-4-11-15(5-2)13(3)16(15)12-14-9-7-6-8-10-14/h4,6-10,13H,1,5,11-12H2,2-3H3/t13-,15-,16?/m1/s1
InChIKeyNTFOCMYAJRIPQF-CWSLVUQWSA-N
XLogP3.62
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11367280
(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine
CID 101369761
2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole
CID 68572707
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
2-phenyl-2-prop-2-enylindene-1,3-dione
CID 5121496
1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
CID 69094065
ethyl 1-benzyl-2-methyl-3,5-dioxo-4-prop-2-enylpyrazolidine-4-carboxylate
CID 102589141
(2S,4S,5S)-1,2,5-trimethyl-N-(2-phenylethyl)-4-prop-2-enylpiperidin-4-amine
CID 796177
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389
1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
CID 130546283
(1R,2S,6S,8S)-3-benzyl-10,10-dimethyl-8-prop-2-enyl-4,9,11-trioxa-3-azatricyclo[6.3.0.02,6]undecane
CID 10805298

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine?
The IUPAC name of (2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine (CID 101369766) is (2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine.
What is the SMILES notation for (2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine?
The canonical SMILES for (2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine is C=CC[C@]1(CC)[C@@H](C)N1Cc1ccccc1.
What is the InChIKey of (2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine?
The InChIKey is NTFOCMYAJRIPQF-CWSLVUQWSA-N. The full InChI is InChI=1S/C15H21N/c1-4-11-15(5-2)13(3)16(15)12-14-9-7-6-8-10-14/h4,6-10,13H,1,5,11-12H2,2-3H3/t13-,15-,16?/m1/s1.
What are the key properties of (2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine?
(2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine has a molecular weight of 215.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine is sourced from PubChem (CID 101369766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).