acetic acid;N'-tritylethane-1,2-diamine

C23H26N2O2 — CID 43835039

IUPACacetic acid;N'-tritylethane-1,2-diamine
SMILESCC(=O)O.NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2.C2H4O2/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2(3)4/h1-15,23H,16-17,22H2;1H3,(H,3,4)
InChIKeyDUNZNRMJKLYTSM-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.62
Rot. Bonds6

About acetic acid;N'-tritylethane-1,2-diamine

acetic acid;N'-tritylethane-1,2-diamine (PubChem CID 43835039) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is acetic acid;N'-tritylethane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;N'-tritylethane-1,2-diamine
PubChem CID43835039
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Nameacetic acid;N'-tritylethane-1,2-diamine
SMILESCC(=O)O.NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2.C2H4O2/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2(3)4/h1-15,23H,16-17,22H2;1H3,(H,3,4)
InChIKeyDUNZNRMJKLYTSM-UHFFFAOYSA-N
XLogP3.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N'-tritylethane-1,2-diamine?
The IUPAC name of acetic acid;N'-tritylethane-1,2-diamine (CID 43835039) is acetic acid;N'-tritylethane-1,2-diamine.
What is the SMILES notation for acetic acid;N'-tritylethane-1,2-diamine?
The canonical SMILES for acetic acid;N'-tritylethane-1,2-diamine is CC(=O)O.NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of acetic acid;N'-tritylethane-1,2-diamine?
The InChIKey is DUNZNRMJKLYTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2.C2H4O2/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2(3)4/h1-15,23H,16-17,22H2;1H3,(H,3,4).
What are the key properties of acetic acid;N'-tritylethane-1,2-diamine?
acetic acid;N'-tritylethane-1,2-diamine has a molecular weight of 362.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N'-tritylethane-1,2-diamine is sourced from PubChem (CID 43835039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).