3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine

C16H22N4 — CID 107503949

IUPAC3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine
SMILESCCNC(c1cc(C)nc(C)c1)c1c(C)ccnc1N
InChIInChI=1S/C16H22N4/c1-5-18-15(13-8-11(3)20-12(4)9-13)14-10(2)6-7-19-16(14)17/h6-9,15,18H,5H2,1-4H3,(H2,17,19)
InChIKeyRHSHGBFKFBLNDJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.68
Rot. Bonds4

About 3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine

3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine (PubChem CID 107503949) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine
PubChem CID107503949
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine
SMILESCCNC(c1cc(C)nc(C)c1)c1c(C)ccnc1N
InChIInChI=1S/C16H22N4/c1-5-18-15(13-8-11(3)20-12(4)9-13)14-10(2)6-7-19-16(14)17/h6-9,15,18H,5H2,1-4H3,(H2,17,19)
InChIKeyRHSHGBFKFBLNDJ-UHFFFAOYSA-N
XLogP2.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dimethyl-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107503716
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
CID 65128214
N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503764
3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 114886614
4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine
CID 65360572
N-[(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107503811
1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087148
3-[(6-methoxypyridazin-3-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 103374843
3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103474599
N-[(2,6-dimethyl-4-pyridinyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107503885
3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine
CID 79493587

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine (CID 107503949) is 3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine is CCNC(c1cc(C)nc(C)c1)c1c(C)ccnc1N.
What is the InChIKey of 3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine?
The InChIKey is RHSHGBFKFBLNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-18-15(13-8-11(3)20-12(4)9-13)14-10(2)6-7-19-16(14)17/h6-9,15,18H,5H2,1-4H3,(H2,17,19).
What are the key properties of 3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine?
3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 107503949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).