(2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine

C19H25N3O2 — CID 95207472

IUPAC(2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine
SMILESC=CCC[C@H](CN(C)Cc1cccnc1)Oc1cccc(OC)n1
InChIInChI=1S/C19H25N3O2/c1-4-5-9-17(24-19-11-6-10-18(21-19)23-3)15-22(2)14-16-8-7-12-20-13-16/h4,6-8,10-13,17H,1,5,9,14-15H2,2-3H3/t17-/m1/s1
InChIKeyYLEILFJQYJXLKB-QGZVFWFLSA-N
MW327.43 g/mol
LogP3.33
Rot. Bonds10

About (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine

(2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine (PubChem CID 95207472) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine.

Molecular Properties

Compound Name(2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine
PubChem CID95207472
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine
SMILESC=CCC[C@H](CN(C)Cc1cccnc1)Oc1cccc(OC)n1
InChIInChI=1S/C19H25N3O2/c1-4-5-9-17(24-19-11-6-10-18(21-19)23-3)15-22(2)14-16-8-7-12-20-13-16/h4,6-8,10-13,17H,1,5,9,14-15H2,2-3H3/t17-/m1/s1
InChIKeyYLEILFJQYJXLKB-QGZVFWFLSA-N
XLogP3.33
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine with MolForge

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Related Compounds

N,N-dimethyl-6-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrazin-2-amine
CID 56899834
(2R)-N-methyl-2-[[5-(methylsulfanylmethyl)-2-pyridinyl]oxy]-N-(pyridin-3-ylmethyl)hex-5-en-1-amine
CID 95873238
N,N,5-trimethyl-2-[1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yloxy]pyrimidin-4-amine
CID 56885475
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile
CID 56887650
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
1-N-methyl-3-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]oxy-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 145473011

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine?
The IUPAC name of (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine (CID 95207472) is (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine.
What is the SMILES notation for (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine?
The canonical SMILES for (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine is C=CCC[C@H](CN(C)Cc1cccnc1)Oc1cccc(OC)n1.
What is the InChIKey of (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine?
The InChIKey is YLEILFJQYJXLKB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-5-9-17(24-19-11-6-10-18(21-19)23-3)15-22(2)14-16-8-7-12-20-13-16/h4,6-8,10-13,17H,1,5,9,14-15H2,2-3H3/t17-/m1/s1.
What are the key properties of (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine?
(2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine has a molecular weight of 327.43 g/mol, XLogP of 3.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-methoxy-2-pyridinyl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine is sourced from PubChem (CID 95207472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).