N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine

C22H26N4 — CID 102429254

IUPACN-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc(CN(C)Cc2ccccn2)cc1)Cc1ccccn1
InChIInChI=1S/C22H26N4/c1-25(17-21-7-3-5-13-23-21)15-19-9-11-20(12-10-19)16-26(2)18-22-8-4-6-14-24-22/h3-14H,15-18H2,1-2H3
InChIKeyIYYABPPBWRJSGW-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.74
Rot. Bonds8

About N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine

N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 102429254) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID102429254
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC NameN-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc(CN(C)Cc2ccccn2)cc1)Cc1ccccn1
InChIInChI=1S/C22H26N4/c1-25(17-21-7-3-5-13-23-21)15-19-9-11-20(12-10-19)16-26(2)18-22-8-4-6-14-24-22/h3-14H,15-18H2,1-2H3
InChIKeyIYYABPPBWRJSGW-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine (CID 102429254) is N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine is CN(Cc1ccc(CN(C)Cc2ccccn2)cc1)Cc1ccccn1.
What is the InChIKey of N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is IYYABPPBWRJSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-25(17-21-7-3-5-13-23-21)15-19-9-11-20(12-10-19)16-26(2)18-22-8-4-6-14-24-22/h3-14H,15-18H2,1-2H3.
What are the key properties of N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 346.48 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 102429254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).