3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine

C11H17N3O — CID 104534608

IUPAC3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine
SMILESCNc1cncc(NC2CCCOC2)c1
InChIInChI=1S/C11H17N3O/c1-12-10-5-11(7-13-6-10)14-9-3-2-4-15-8-9/h5-7,9,12,14H,2-4,8H2,1H3
InChIKeyJMXGUTRLGMFVBX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.71
Rot. Bonds3

About 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine

3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine (PubChem CID 104534608) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine
PubChem CID104534608
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine
SMILESCNc1cncc(NC2CCCOC2)c1
InChIInChI=1S/C11H17N3O/c1-12-10-5-11(7-13-6-10)14-9-3-2-4-15-8-9/h5-7,9,12,14H,2-4,8H2,1H3
InChIKeyJMXGUTRLGMFVBX-UHFFFAOYSA-N
XLogP1.71
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine (CID 104534608) is 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine is CNc1cncc(NC2CCCOC2)c1.
What is the InChIKey of 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine?
The InChIKey is JMXGUTRLGMFVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-12-10-5-11(7-13-6-10)14-9-3-2-4-15-8-9/h5-7,9,12,14H,2-4,8H2,1H3.
What are the key properties of 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine?
3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(oxan-3-yl)pyridine-3,5-diamine is sourced from PubChem (CID 104534608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).