6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine

C13H21N3O2 — CID 55227383

IUPAC6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
SMILESCOc1nc(N(C)CC2CCCOC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-16(8-10-4-3-7-18-9-10)12-6-5-11(14)13(15-12)17-2/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyXOTBELBQFQTJKN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.54
Rot. Bonds4

About 6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine

6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 55227383) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
PubChem CID55227383
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
SMILESCOc1nc(N(C)CC2CCCOC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-16(8-10-4-3-7-18-9-10)12-6-5-11(14)13(15-12)17-2/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyXOTBELBQFQTJKN-UHFFFAOYSA-N
XLogP1.54
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine (CID 55227383) is 6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine is COc1nc(N(C)CC2CCCOC2)ccc1N.
What is the InChIKey of 6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is XOTBELBQFQTJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(8-10-4-3-7-18-9-10)12-6-5-11(14)13(15-12)17-2/h5-6,10H,3-4,7-9,14H2,1-2H3.
What are the key properties of 6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine?
6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-methyl-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 55227383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).