2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine

C24H27N7 — CID 69234303

IUPAC2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine
SMILESC(=N/CCN(CC/N=C/c1cccnc1)CC/N=C/c1cccnc1)\c1cccnc1
InChIInChI=1S/C24H27N7/c1-4-22(16-25-7-1)19-28-10-13-31(14-11-29-20-23-5-2-8-26-17-23)15-12-30-21-24-6-3-9-27-18-24/h1-9,16-21H,10-15H2/b28-19+,29-20+,30-21+
InChIKeyBPALUMBQFMKZKM-YILJOUTGSA-N
MW413.53 g/mol
LogP2.83
Rot. Bonds12

About 2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine

2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine (PubChem CID 69234303) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine
PubChem CID69234303
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine
SMILESC(=N/CCN(CC/N=C/c1cccnc1)CC/N=C/c1cccnc1)\c1cccnc1
InChIInChI=1S/C24H27N7/c1-4-22(16-25-7-1)19-28-10-13-31(14-11-29-20-23-5-2-8-26-17-23)15-12-30-21-24-6-3-9-27-18-24/h1-9,16-21H,10-15H2/b28-19+,29-20+,30-21+
InChIKeyBPALUMBQFMKZKM-YILJOUTGSA-N
XLogP2.83
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-4-(pentamethyl-λ6-sulfanyl)but-3-enyl]-1-pyridin-3-ylmethanimine
CID 166917905
2-(pyridin-3-ylmethylideneamino)acetic acid
CID 45082526
N-(2-methylprop-2-enyl)-1-pyridin-3-ylmethanimine
CID 142604700
2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide
CID 139052351
N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 4985790
N-[[(2S)-oxolan-2-yl]methyl]-1-pyridin-3-ylmethanimine
CID 2311431
1-(4-methylphenyl)-2-(pyridin-3-ylmethylideneamino)ethanone
CID 160987415
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
N,N-bis[2-(anthracen-9-ylmethylideneamino)ethyl]-2-(benzylideneamino)ethanamine
CID 11104046
N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine
CID 24834593
1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 660525
3-[[(E)-pyridin-3-ylmethylideneamino]methyl]-1,3-oxazolidin-2-one
CID 11447060

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine?
The IUPAC name of 2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine (CID 69234303) is 2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine.
What is the SMILES notation for 2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine?
The canonical SMILES for 2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine is C(=N/CCN(CC/N=C/c1cccnc1)CC/N=C/c1cccnc1)\c1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine?
The InChIKey is BPALUMBQFMKZKM-YILJOUTGSA-N. The full InChI is InChI=1S/C24H27N7/c1-4-22(16-25-7-1)19-28-10-13-31(14-11-29-20-23-5-2-8-26-17-23)15-12-30-21-24-6-3-9-27-18-24/h1-9,16-21H,10-15H2/b28-19+,29-20+,30-21+.
What are the key properties of 2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine?
2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine has a molecular weight of 413.53 g/mol, XLogP of 2.83, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylideneamino)-N,N-bis[2-(pyridin-3-ylmethylideneamino)ethyl]ethanamine is sourced from PubChem (CID 69234303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).