N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine

C22H24N6 — CID 102034985

IUPACN-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
SMILESC(=N/CCN(CC/N=C/c1ccccn1)Cc1ccccn1)\c1ccccn1
InChIInChI=1S/C22H24N6/c1-4-10-25-20(7-1)17-23-13-15-28(19-22-9-3-6-12-27-22)16-14-24-18-21-8-2-5-11-26-21/h1-12,17-18H,13-16,19H2/b23-17+,24-18+
InChIKeyJUQFHONJHQYULQ-GJHDBBOXSA-N
MW372.48 g/mol
LogP2.91
Rot. Bonds10

About N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine

N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine (PubChem CID 102034985) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
PubChem CID102034985
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC NameN-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
SMILESC(=N/CCN(CC/N=C/c1ccccn1)Cc1ccccn1)\c1ccccn1
InChIInChI=1S/C22H24N6/c1-4-10-25-20(7-1)17-23-13-15-28(19-22-9-3-6-12-27-22)16-14-24-18-21-8-2-5-11-26-21/h1-12,17-18H,13-16,19H2/b23-17+,24-18+
InChIKeyJUQFHONJHQYULQ-GJHDBBOXSA-N
XLogP2.91
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethane-1,2-diamine
CID 135011278
cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate
CID 139071417
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate
CID 139177156
zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate
CID 139068771
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
CID 101461429
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N-(azidomethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 130353298
2-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-3-hydroxypentyl]iminomethyl]phenol
CID 136784633

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine (CID 102034985) is N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine is C(=N/CCN(CC/N=C/c1ccccn1)Cc1ccccn1)\c1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine?
The InChIKey is JUQFHONJHQYULQ-GJHDBBOXSA-N. The full InChI is InChI=1S/C22H24N6/c1-4-10-25-20(7-1)17-23-13-15-28(19-22-9-3-6-12-27-22)16-14-24-18-21-8-2-5-11-26-21/h1-12,17-18H,13-16,19H2/b23-17+,24-18+.
What are the key properties of N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine?
N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine has a molecular weight of 372.48 g/mol, XLogP of 2.91, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine is sourced from PubChem (CID 102034985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).