N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine

C25H25NO2 — CID 141216576

IUPACN,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)N(CC2CO2)CC2CO2)cc1
InChIInChI=1S/C25H25NO2/c1-4-10-20(11-5-1)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)26(16-23-18-27-23)17-24-19-28-24/h1-15,23-24H,16-19H2
InChIKeyUNINKKYDSRQGOB-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.08
Rot. Bonds8

About N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine

N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine (PubChem CID 141216576) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine.

Molecular Properties

Compound NameN,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine
PubChem CID141216576
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC NameN,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)N(CC2CO2)CC2CO2)cc1
InChIInChI=1S/C25H25NO2/c1-4-10-20(11-5-1)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)26(16-23-18-27-23)17-24-19-28-24/h1-15,23-24H,16-19H2
InChIKeyUNINKKYDSRQGOB-UHFFFAOYSA-N
XLogP4.08
TPSA28.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine?
The IUPAC name of N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine (CID 141216576) is N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine.
What is the SMILES notation for N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine?
The canonical SMILES for N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine is c1ccc(C(c2ccccc2)(c2ccccc2)N(CC2CO2)CC2CO2)cc1.
What is the InChIKey of N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine?
The InChIKey is UNINKKYDSRQGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-4-10-20(11-5-1)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)26(16-23-18-27-23)17-24-19-28-24/h1-15,23-24H,16-19H2.
What are the key properties of N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine?
N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine has a molecular weight of 371.48 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine is sourced from PubChem (CID 141216576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).