(2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C20H29N3O — CID 118429810

IUPAC(2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n2)ccn1
InChIInChI=1S/C20H29N3O/c1-13(2)11-20(6,21)12-24-19-14(3)9-18(23-16(19)5)17-7-8-22-15(4)10-17/h7-10,13H,11-12,21H2,1-6H3/t20-/m0/s1
InChIKeyOFMWMZVLUNNWMK-FQEVSTJZSA-N
MW327.47 g/mol
LogP4.21
Rot. Bonds6

About (2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118429810) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is (2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118429810
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name(2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n2)ccn1
InChIInChI=1S/C20H29N3O/c1-13(2)11-20(6,21)12-24-19-14(3)9-18(23-16(19)5)17-7-8-22-15(4)10-17/h7-10,13H,11-12,21H2,1-6H3/t20-/m0/s1
InChIKeyOFMWMZVLUNNWMK-FQEVSTJZSA-N
XLogP4.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118429810) is (2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2cc(C)c(OC[C@@](C)(N)CC(C)C)c(C)n2)ccn1.
What is the InChIKey of (2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is OFMWMZVLUNNWMK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N3O/c1-13(2)11-20(6,21)12-24-19-14(3)9-18(23-16(19)5)17-7-8-22-15(4)10-17/h7-10,13H,11-12,21H2,1-6H3/t20-/m0/s1.
What are the key properties of (2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 327.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2,4-dimethyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118429810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).