N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine

C16H22N4 — CID 62471061

IUPACN-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine
SMILESCCNc1ncccc1CN(CC)Cc1ccncc1
InChIInChI=1S/C16H22N4/c1-3-18-16-15(6-5-9-19-16)13-20(4-2)12-14-7-10-17-11-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,18,19)
InChIKeyQJSUOHHFXGDZIM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.93
Rot. Bonds7

About N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine

N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine (PubChem CID 62471061) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine
PubChem CID62471061
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine
SMILESCCNc1ncccc1CN(CC)Cc1ccncc1
InChIInChI=1S/C16H22N4/c1-3-18-16-15(6-5-9-19-16)13-20(4-2)12-14-7-10-17-11-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,18,19)
InChIKeyQJSUOHHFXGDZIM-UHFFFAOYSA-N
XLogP2.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylaminomethyl)-N-ethylpyridin-2-amine
CID 62471645
N-ethyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 62470634
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154
N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 46998544
N-ethyl-3-[[methyl(pentan-3-yl)amino]methyl]pyridin-2-amine
CID 62469722
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62469605
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 75430689
N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
CID 102996891
3-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 63633007
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389
N-ethyl-3-(ethylsulfanylmethyl)pyridin-2-amine
CID 62466764

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine (CID 62471061) is N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine is CCNc1ncccc1CN(CC)Cc1ccncc1.
What is the InChIKey of N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine?
The InChIKey is QJSUOHHFXGDZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-18-16-15(6-5-9-19-16)13-20(4-2)12-14-7-10-17-11-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine?
N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 62471061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).