N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine

C23H28N4 — CID 178072210

IUPACN,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1ccccc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C23H28N4/c1-26(2)16-9-17-27(3)18-19-10-4-5-11-20(19)21-13-8-14-23(25-21)22-12-6-7-15-24-22/h4-8,10-15H,9,16-18H2,1-3H3
InChIKeyJEGDNINQLAMQGU-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.19
Rot. Bonds8

About N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine (PubChem CID 178072210) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine
PubChem CID178072210
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC NameN,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1ccccc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C23H28N4/c1-26(2)16-9-17-27(3)18-19-10-4-5-11-20(19)21-13-8-14-23(25-21)22-12-6-7-15-24-22/h4-8,10-15H,9,16-18H2,1-3H3
InChIKeyJEGDNINQLAMQGU-UHFFFAOYSA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine (CID 178072210) is N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine is CN(C)CCCN(C)Cc1ccccc1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine?
The InChIKey is JEGDNINQLAMQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-26(2)16-9-17-27(3)18-19-10-4-5-11-20(19)21-13-8-14-23(25-21)22-12-6-7-15-24-22/h4-8,10-15H,9,16-18H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine has a molecular weight of 360.51 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[2-(6-pyridin-2-yl-2-pyridinyl)phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 178072210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).