2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline

C19H20N4 — CID 69057347

IUPAC2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
SMILESNc1ccccc1CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H20N4/c20-19-10-2-1-7-16(19)13-23(14-17-8-3-5-11-21-17)15-18-9-4-6-12-22-18/h1-12H,13-15,20H2
InChIKeyLXDCEEPTQBGGET-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.26
Rot. Bonds6

About 2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline

2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline (PubChem CID 69057347) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
PubChem CID69057347
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
SMILESNc1ccccc1CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H20N4/c20-19-10-2-1-7-16(19)13-23(14-17-8-3-5-11-21-17)15-18-9-4-6-12-22-18/h1-12H,13-15,20H2
InChIKeyLXDCEEPTQBGGET-UHFFFAOYSA-N
XLogP3.26
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-[[(2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(oxygen(2-));tungsten
CID 139162848
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-methylphenol
CID 169201495
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline
CID 71029236
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 78942264
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 22115004

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline (CID 69057347) is 2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline is Nc1ccccc1CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline?
The InChIKey is LXDCEEPTQBGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c20-19-10-2-1-7-16(19)13-23(14-17-8-3-5-11-21-17)15-18-9-4-6-12-22-18/h1-12H,13-15,20H2.
What are the key properties of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline?
2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline has a molecular weight of 304.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 69057347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).