azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine

C28H32N4 — CID 162212594

IUPACazane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine
SMILESN.N[C@H](c1ccccc1)[C@H](N)c1ccccc1.c1ccc(C2NC2c2ccccc2)cc1
InChIInChI=1S/C14H16N2.C14H13N.H3N/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12;/h1-10,13-14H,15-16H2;1-10,13-15H;1H3/t13-,14-;;/m1../s1
InChIKeyRYDUARRHHSGXBV-KFWOVWKUSA-N
MW424.59 g/mol
LogP5.62
Rot. Bonds5

About azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine

azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine (PubChem CID 162212594) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Nameazane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine
PubChem CID162212594
Molecular FormulaC28H32N4
Molecular Weight424.59 g/mol
Exact Mass424.26
IUPAC Nameazane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine
SMILESN.N[C@H](c1ccccc1)[C@H](N)c1ccccc1.c1ccc(C2NC2c2ccccc2)cc1
InChIInChI=1S/C14H16N2.C14H13N.H3N/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12;/h1-10,13-14H,15-16H2;1-10,13-15H;1H3/t13-,14-;;/m1../s1
InChIKeyRYDUARRHHSGXBV-KFWOVWKUSA-N
XLogP5.62
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine?
The IUPAC name of azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine (CID 162212594) is azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine is N.N[C@H](c1ccccc1)[C@H](N)c1ccccc1.c1ccc(C2NC2c2ccccc2)cc1.
What is the InChIKey of azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine?
The InChIKey is RYDUARRHHSGXBV-KFWOVWKUSA-N. The full InChI is InChI=1S/C14H16N2.C14H13N.H3N/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12;/h1-10,13-14H,15-16H2;1-10,13-15H;1H3/t13-,14-;;/m1../s1.
What are the key properties of azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine?
azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine has a molecular weight of 424.59 g/mol, XLogP of 5.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-diphenylaziridine;(1R,2R)-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 162212594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).