(2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine

C19H23N — CID 59961058

IUPAC(2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine
SMILESCCC[C@@H]1[C@H](C)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N/c1-3-10-18-15(2)20(18)19(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-15,18-19H,3,10H2,1-2H3/t15-,18+,20?/m0/s1
InChIKeyFJDPEMKIXMVRDS-CMNDMHKISA-N
MW265.40 g/mol
LogP4.65
Rot. Bonds5

About (2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine

(2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine (PubChem CID 59961058) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine.

Molecular Properties

Compound Name(2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine
PubChem CID59961058
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine
SMILESCCC[C@@H]1[C@H](C)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N/c1-3-10-18-15(2)20(18)19(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-15,18-19H,3,10H2,1-2H3/t15-,18+,20?/m0/s1
InChIKeyFJDPEMKIXMVRDS-CMNDMHKISA-N
XLogP4.65
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.65
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine?
The IUPAC name of (2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine (CID 59961058) is (2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine.
What is the SMILES notation for (2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine?
The canonical SMILES for (2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine is CCC[C@@H]1[C@H](C)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine?
The InChIKey is FJDPEMKIXMVRDS-CMNDMHKISA-N. The full InChI is InChI=1S/C19H23N/c1-3-10-18-15(2)20(18)19(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-15,18-19H,3,10H2,1-2H3/t15-,18+,20?/m0/s1.
What are the key properties of (2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine?
(2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine has a molecular weight of 265.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-benzhydryl-2-methyl-3-propylaziridine is sourced from PubChem (CID 59961058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).