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

C20H21N5 — CID 66810165

IUPACN,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine
SMILESC(=CN(Cc1ccccn1)Cc1ccccn1)NCc1ccccn1
InChIInChI=1S/C20H21N5/c1-4-10-22-18(7-1)15-21-13-14-25(16-19-8-2-5-11-23-19)17-20-9-3-6-12-24-20/h1-14,21H,15-17H2
InChIKeyVBYSHJOGGQDYQJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.13
Rot. Bonds8

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

N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine (PubChem CID 66810165) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine.

Molecular Properties

Compound NameN,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine
PubChem CID66810165
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC NameN,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine
SMILESC(=CN(Cc1ccccn1)Cc1ccccn1)NCc1ccccn1
InChIInChI=1S/C20H21N5/c1-4-10-22-18(7-1)15-21-13-14-25(16-19-8-2-5-11-23-19)17-20-9-3-6-12-24-20/h1-14,21H,15-17H2
InChIKeyVBYSHJOGGQDYQJ-UHFFFAOYSA-N
XLogP3.13
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 22115004
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996
2-nitro-N-(pyridin-2-ylmethyl)ethenamine
CID 67930852
methyl (2E,4E)-5-(pyridin-2-ylmethylamino)penta-2,4-dienoate
CID 10846468
(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
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
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'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921

Frequently Asked Questions

What is the IUPAC name of N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine?
The IUPAC name of N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine (CID 66810165) is N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine.
What is the SMILES notation for N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine?
The canonical SMILES for N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine is C(=CN(Cc1ccccn1)Cc1ccccn1)NCc1ccccn1.
What is the InChIKey of N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine?
The InChIKey is VBYSHJOGGQDYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-4-10-22-18(7-1)15-21-13-14-25(16-19-8-2-5-11-23-19)17-20-9-3-6-12-24-20/h1-14,21H,15-17H2.
What are the key properties of N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine?
N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine has a molecular weight of 331.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine is sourced from PubChem (CID 66810165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).