(2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine

C31H39N — CID 15531699

IUPAC(2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine
SMILESCCCCCCCCCC[C@@]1(Cc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C31H39N/c1-2-3-4-5-6-7-8-18-25-31(26-27-19-12-9-13-20-27)30(28-21-14-10-15-22-28)32(31)29-23-16-11-17-24-29/h9-17,19-24,30H,2-8,18,25-26H2,1H3/t30-,31-,32?/m1/s1
InChIKeyFXUWKFAEPORBSQ-BDMLFTSDSA-N
MW425.66 g/mol
LogP8.76
Rot. Bonds13

About (2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine

(2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine (PubChem CID 15531699) has the molecular formula C31H39N and a molecular weight of 425.66 g/mol. Its IUPAC name is (2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine.

Molecular Properties

Compound Name(2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine
PubChem CID15531699
Molecular FormulaC31H39N
Molecular Weight425.66 g/mol
Exact Mass425.31
IUPAC Name(2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine
SMILESCCCCCCCCCC[C@@]1(Cc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C31H39N/c1-2-3-4-5-6-7-8-18-25-31(26-27-19-12-9-13-20-27)30(28-21-14-10-15-22-28)32(31)29-23-16-11-17-24-29/h9-17,19-24,30H,2-8,18,25-26H2,1H3/t30-,31-,32?/m1/s1
InChIKeyFXUWKFAEPORBSQ-BDMLFTSDSA-N
XLogP8.76
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.66
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine
CID 71378075
(3R)-3-benzyl-3-hexyl-1-phenylazetidin-2-one
CID 166439497
2-benzyl-2-hexyl-1,3-dioxole
CID 141318556
3-benzyl-3-nonylazetidine
CID 79451822
(1-octylcyclohexyl)methylbenzene
CID 90738886
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733
hexakis(decane);ethylbenzene
CID 173398562
1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole
CID 69396098
2-benzyl-2-heptyl-4-methylideneoxetane
CID 102089331
1,4-diphenyl-3,3-dipropylazetidin-2-one
CID 70304268
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388930
1-dodecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69395234

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine?
The IUPAC name of (2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine (CID 15531699) is (2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine.
What is the SMILES notation for (2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine?
The canonical SMILES for (2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine is CCCCCCCCCC[C@@]1(Cc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1.
What is the InChIKey of (2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine?
The InChIKey is FXUWKFAEPORBSQ-BDMLFTSDSA-N. The full InChI is InChI=1S/C31H39N/c1-2-3-4-5-6-7-8-18-25-31(26-27-19-12-9-13-20-27)30(28-21-14-10-15-22-28)32(31)29-23-16-11-17-24-29/h9-17,19-24,30H,2-8,18,25-26H2,1H3/t30-,31-,32?/m1/s1.
What are the key properties of (2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine?
(2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine has a molecular weight of 425.66 g/mol, XLogP of 8.76, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine is sourced from PubChem (CID 15531699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).