N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine

C26H26N6 — CID 69486318

IUPACN,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
SMILESC(=CN(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C26H26N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-18H,19-22H2
InChIKeyDDIRSHMQVUCHBM-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.44
Rot. Bonds10

About N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine

N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine (PubChem CID 69486318) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
PubChem CID69486318
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC NameN,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
SMILESC(=CN(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C26H26N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-18H,19-22H2
InChIKeyDDIRSHMQVUCHBM-UHFFFAOYSA-N
XLogP4.44
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine (CID 69486318) is N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine is C(=CN(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine?
The InChIKey is DDIRSHMQVUCHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-18H,19-22H2.
What are the key properties of N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine?
N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine has a molecular weight of 422.54 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine is sourced from PubChem (CID 69486318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).