N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride

C28H30Cl2N2 — CID 11698390

IUPACN,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28N2.2ClH/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;/h1-20,27-30H,21-22H2;2*1H
InChIKeyYRQCDCNQANSUPB-UHFFFAOYSA-N
MW465.47 g/mol
LogP6.59
Rot. Bonds9

About N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride

N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride (PubChem CID 11698390) has the molecular formula C28H30Cl2N2 and a molecular weight of 465.47 g/mol. Its IUPAC name is N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride
PubChem CID11698390
Molecular FormulaC28H30Cl2N2
Molecular Weight465.47 g/mol
Exact Mass464.18
IUPAC NameN,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28N2.2ClH/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;/h1-20,27-30H,21-22H2;2*1H
InChIKeyYRQCDCNQANSUPB-UHFFFAOYSA-N
XLogP6.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride (CID 11698390) is N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride is Cl.Cl.c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride?
The InChIKey is YRQCDCNQANSUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2.2ClH/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;/h1-20,27-30H,21-22H2;2*1H.
What are the key properties of N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride?
N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride has a molecular weight of 465.47 g/mol, XLogP of 6.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 11698390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).