2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine

C16H27N3O2 — CID 63725262

IUPAC2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
SMILESCC(C)COc1nc(N(C)CC2CCOCC2)ccc1N
InChIInChI=1S/C16H27N3O2/c1-12(2)11-21-16-14(17)4-5-15(18-16)19(3)10-13-6-8-20-9-7-13/h4-5,12-13H,6-11,17H2,1-3H3
InChIKeyOSYSRELXPWRGNK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.56
Rot. Bonds6

About 2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine

2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine (PubChem CID 63725262) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
PubChem CID63725262
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
SMILESCC(C)COc1nc(N(C)CC2CCOCC2)ccc1N
InChIInChI=1S/C16H27N3O2/c1-12(2)11-21-16-14(17)4-5-15(18-16)19(3)10-13-6-8-20-9-7-13/h4-5,12-13H,6-11,17H2,1-3H3
InChIKeyOSYSRELXPWRGNK-UHFFFAOYSA-N
XLogP2.56
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine (CID 63725262) is 2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine is CC(C)COc1nc(N(C)CC2CCOCC2)ccc1N.
What is the InChIKey of 2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine?
The InChIKey is OSYSRELXPWRGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)11-21-16-14(17)4-5-15(18-16)19(3)10-13-6-8-20-9-7-13/h4-5,12-13H,6-11,17H2,1-3H3.
What are the key properties of 2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine?
2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine has a molecular weight of 293.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-(2-methylpropoxy)-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 63725262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).