N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

C16H21N3 — CID 43318808

IUPACN'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCc1ccccc1N(CCCN)Cc1ccccn1
InChIInChI=1S/C16H21N3/c1-14-7-2-3-9-16(14)19(12-6-10-17)13-15-8-4-5-11-18-15/h2-5,7-9,11H,6,10,12-13,17H2,1H3
InChIKeyWHUXFMBHBRYARP-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.75
Rot. Bonds6

About N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (PubChem CID 43318808) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
PubChem CID43318808
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCc1ccccc1N(CCCN)Cc1ccccn1
InChIInChI=1S/C16H21N3/c1-14-7-2-3-9-16(14)19(12-6-10-17)13-15-8-4-5-11-18-15/h2-5,7-9,11H,6,10,12-13,17H2,1H3
InChIKeyWHUXFMBHBRYARP-UHFFFAOYSA-N
XLogP2.75
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 28770521
N'-(3,3-dimethylbutyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 54958186
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline
CID 63887243
3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol
CID 22223339
N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262674
N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62574145
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43136023
N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine
CID 28771222
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (CID 43318808) is N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is Cc1ccccc1N(CCCN)Cc1ccccn1.
What is the InChIKey of N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is WHUXFMBHBRYARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-14-7-2-3-9-16(14)19(12-6-10-17)13-15-8-4-5-11-18-15/h2-5,7-9,11H,6,10,12-13,17H2,1H3.
What are the key properties of N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 43318808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).