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

C26H28N6 — CID 5519

IUPACN,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESc1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C26H28N6/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/h1-16H,17-22H2
InChIKeyCVRXLMUYFMERMJ-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.97
Rot. Bonds11

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

N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 5519) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID5519
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC NameN,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESc1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C26H28N6/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/h1-16H,17-22H2
InChIKeyCVRXLMUYFMERMJ-UHFFFAOYSA-N
XLogP3.97
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.97
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)ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 5519) is N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine is c1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is CVRXLMUYFMERMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6/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/h1-16H,17-22H2.
What are the key properties of N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine?
N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 424.55 g/mol, XLogP of 3.97, 11 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)ethane-1,2-diamine is sourced from PubChem (CID 5519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).