N,N,N',N'-tetrabenzylethane-1,2-diamine

C30H32N2 — CID 563356

IUPACN,N,N',N'-tetrabenzylethane-1,2-diamine
SMILESc1ccc(CN(CCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C30H32N2/c1-5-13-27(14-6-1)23-31(24-28-15-7-2-8-16-28)21-22-32(25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-20H,21-26H2
InChIKeyOEOVMYVAKUPUBK-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.39
Rot. Bonds11

About N,N,N',N'-tetrabenzylethane-1,2-diamine

N,N,N',N'-tetrabenzylethane-1,2-diamine (PubChem CID 563356) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N,N,N',N'-tetrabenzylethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrabenzylethane-1,2-diamine
PubChem CID563356
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC NameN,N,N',N'-tetrabenzylethane-1,2-diamine
SMILESc1ccc(CN(CCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C30H32N2/c1-5-13-27(14-6-1)23-31(24-28-15-7-2-8-16-28)21-22-32(25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-20H,21-26H2
InChIKeyOEOVMYVAKUPUBK-UHFFFAOYSA-N
XLogP6.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabenzylethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrabenzylethane-1,2-diamine (CID 563356) is N,N,N',N'-tetrabenzylethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrabenzylethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrabenzylethane-1,2-diamine is c1ccc(CN(CCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N,N',N'-tetrabenzylethane-1,2-diamine?
The InChIKey is OEOVMYVAKUPUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-5-13-27(14-6-1)23-31(24-28-15-7-2-8-16-28)21-22-32(25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-20H,21-26H2.
What are the key properties of N,N,N',N'-tetrabenzylethane-1,2-diamine?
N,N,N',N'-tetrabenzylethane-1,2-diamine has a molecular weight of 420.60 g/mol, XLogP of 6.39, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabenzylethane-1,2-diamine is sourced from PubChem (CID 563356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).