6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine

C16H22N4 — CID 83128125

IUPAC6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine
SMILESCCN(Cc1cccc(C)n1)c1ccc([C@@H](C)N)nc1
InChIInChI=1S/C16H22N4/c1-4-20(11-14-7-5-6-12(2)19-14)15-8-9-16(13(3)17)18-10-15/h5-10,13H,4,11,17H2,1-3H3/t13-/m1/s1
InChIKeyCNFYNHMYIACUBH-CYBMUJFWSA-N
MW270.38 g/mol
LogP2.83
Rot. Bonds5

About 6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine

6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine (PubChem CID 83128125) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine
PubChem CID83128125
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine
SMILESCCN(Cc1cccc(C)n1)c1ccc([C@@H](C)N)nc1
InChIInChI=1S/C16H22N4/c1-4-20(11-14-7-5-6-12(2)19-14)15-8-9-16(13(3)17)18-10-15/h5-10,13H,4,11,17H2,1-3H3/t13-/m1/s1
InChIKeyCNFYNHMYIACUBH-CYBMUJFWSA-N
XLogP2.83
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The IUPAC name of 6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine (CID 83128125) is 6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine is CCN(Cc1cccc(C)n1)c1ccc([C@@H](C)N)nc1.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The InChIKey is CNFYNHMYIACUBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-20(11-14-7-5-6-12(2)19-14)15-8-9-16(13(3)17)18-10-15/h5-10,13H,4,11,17H2,1-3H3/t13-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine?
6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine is sourced from PubChem (CID 83128125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).