2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline

C23H28N4 — CID 71029236

IUPAC2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline
SMILESCC(C)N(C)c1ccccc1CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C23H28N4/c1-19(2)26(3)23-13-5-4-10-20(23)16-27(17-21-11-6-8-14-24-21)18-22-12-7-9-15-25-22/h4-15,19H,16-18H2,1-3H3
InChIKeyPJQJGFKLNOGMQV-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.52
Rot. Bonds8

About 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline

2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline (PubChem CID 71029236) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline
PubChem CID71029236
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC Name2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline
SMILESCC(C)N(C)c1ccccc1CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C23H28N4/c1-19(2)26(3)23-13-5-4-10-20(23)16-27(17-21-11-6-8-14-24-21)18-22-12-7-9-15-25-22/h4-15,19H,16-18H2,1-3H3
InChIKeyPJQJGFKLNOGMQV-UHFFFAOYSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
2-[[(2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(oxygen(2-));tungsten
CID 139162848
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
CID 69057347
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15845106
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-methylphenol
CID 169201495
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
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

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline?
The IUPAC name of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline (CID 71029236) is 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline?
The canonical SMILES for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline is CC(C)N(C)c1ccccc1CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline?
The InChIKey is PJQJGFKLNOGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-19(2)26(3)23-13-5-4-10-20(23)16-27(17-21-11-6-8-14-24-21)18-22-12-7-9-15-25-22/h4-15,19H,16-18H2,1-3H3.
What are the key properties of 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline?
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline has a molecular weight of 360.50 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 71029236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).