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

C26H26N6 — CID 22115004

IUPAC(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
SMILESC(=C/N(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/b18-17+
InChIKeyDDIRSHMQVUCHBM-ISLYRVAYSA-N
MW422.54 g/mol
LogP4.44
Rot. Bonds10

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

(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine (PubChem CID 22115004) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is (E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
PubChem CID22115004
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC Name(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
SMILESC(=C/N(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/b18-17+
InChIKeyDDIRSHMQVUCHBM-ISLYRVAYSA-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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Related Compounds

N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 66810165
(E)-N-octadecyl-N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 66810162
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
CID 88902013
CID 88902013
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
1-hydroxy-1-(pyridin-2-ylmethyl)urea
CID 10374807
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
N-(naphthalen-1-ylmethyl)-N-(pyridin-2-ylmethyl)formamide
CID 169111587
N-phenyl-N-(pyridin-2-ylmethyl)formamide
CID 59806637

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine?
The IUPAC name of (E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine (CID 22115004) is (E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine.
What is the SMILES notation for (E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine?
The canonical SMILES for (E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine is C(=C/N(Cc1ccccn1)Cc1ccccn1)\N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of (E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine?
The InChIKey is DDIRSHMQVUCHBM-ISLYRVAYSA-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/b18-17+.
What are the key properties of (E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine?
(E)-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 (E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine is sourced from PubChem (CID 22115004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).