2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine

C16H21N3O — CID 106907868

IUPAC2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(COc2cccnc2)n1
InChIInChI=1S/C16H21N3O/c1-16(2,3)18-10-13-6-4-7-14(19-13)12-20-15-8-5-9-17-11-15/h4-9,11,18H,10,12H2,1-3H3
InChIKeyVWXLIPDHFVZFGL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds5

About 2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106907868) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
PubChem CID106907868
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(COc2cccnc2)n1
InChIInChI=1S/C16H21N3O/c1-16(2,3)18-10-13-6-4-7-14(19-13)12-20-15-8-5-9-17-11-15/h4-9,11,18H,10,12H2,1-3H3
InChIKeyVWXLIPDHFVZFGL-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907533
2-methyl-N-[[2-(pyridin-3-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62451201
N-[[6-(butan-2-yloxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908055
6-(pyridin-3-yloxymethyl)pyridine-2-carbohydrazide
CID 106908908
2-methyl-N-[(4-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 63069645
N-[[6-[2-(diethylamino)ethoxymethyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908088
N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908394
2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 131982469
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106206102
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine (CID 106907868) is 2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine is CC(C)(C)NCc1cccc(COc2cccnc2)n1.
What is the InChIKey of 2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is VWXLIPDHFVZFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)18-10-13-6-4-7-14(19-13)12-20-15-8-5-9-17-11-15/h4-9,11,18H,10,12H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(pyridin-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106907868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).