N,N,N',N'-tetrabenzylmethanediamine

C29H30N2 — CID 5038990

IUPACN,N,N',N'-tetrabenzylmethanediamine
SMILESc1ccc(CN(Cc2ccccc2)CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C29H30N2/c1-5-13-26(14-6-1)21-30(22-27-15-7-2-8-16-27)25-31(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-20H,21-25H2
InChIKeyWVFBFEWKWKPZOV-UHFFFAOYSA-N
MW406.57 g/mol
LogP6.35
Rot. Bonds10

About N,N,N',N'-tetrabenzylmethanediamine

N,N,N',N'-tetrabenzylmethanediamine (PubChem CID 5038990) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N,N,N',N'-tetrabenzylmethanediamine.

Molecular Properties

Compound NameN,N,N',N'-tetrabenzylmethanediamine
PubChem CID5038990
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC NameN,N,N',N'-tetrabenzylmethanediamine
SMILESc1ccc(CN(Cc2ccccc2)CN(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C29H30N2/c1-5-13-26(14-6-1)21-30(22-27-15-7-2-8-16-27)25-31(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-20H,21-25H2
InChIKeyWVFBFEWKWKPZOV-UHFFFAOYSA-N
XLogP6.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabenzylmethanediamine?
The IUPAC name of N,N,N',N'-tetrabenzylmethanediamine (CID 5038990) is N,N,N',N'-tetrabenzylmethanediamine.
What is the SMILES notation for N,N,N',N'-tetrabenzylmethanediamine?
The canonical SMILES for N,N,N',N'-tetrabenzylmethanediamine is c1ccc(CN(Cc2ccccc2)CN(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N,N',N'-tetrabenzylmethanediamine?
The InChIKey is WVFBFEWKWKPZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-5-13-26(14-6-1)21-30(22-27-15-7-2-8-16-27)25-31(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-20H,21-25H2.
What are the key properties of N,N,N',N'-tetrabenzylmethanediamine?
N,N,N',N'-tetrabenzylmethanediamine has a molecular weight of 406.57 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabenzylmethanediamine is sourced from PubChem (CID 5038990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).