6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine

C13H23N3O3 — CID 115320592

IUPAC6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine
SMILESCOCCCN(CCOC)c1nc(OC)ccc1N
InChIInChI=1S/C13H23N3O3/c1-17-9-4-7-16(8-10-18-2)13-11(14)5-6-12(15-13)19-3/h5-6H,4,7-10,14H2,1-3H3
InChIKeyHGZMTYNAKSHQOI-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.16
Rot. Bonds9

About 6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine

6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine (PubChem CID 115320592) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine
PubChem CID115320592
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine
SMILESCOCCCN(CCOC)c1nc(OC)ccc1N
InChIInChI=1S/C13H23N3O3/c1-17-9-4-7-16(8-10-18-2)13-11(14)5-6-12(15-13)19-3/h5-6H,4,7-10,14H2,1-3H3
InChIKeyHGZMTYNAKSHQOI-UHFFFAOYSA-N
XLogP1.16
TPSA69.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine (CID 115320592) is 6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine is COCCCN(CCOC)c1nc(OC)ccc1N.
What is the InChIKey of 6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine?
The InChIKey is HGZMTYNAKSHQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-17-9-4-7-16(8-10-18-2)13-11(14)5-6-12(15-13)19-3/h5-6H,4,7-10,14H2,1-3H3.
What are the key properties of 6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine?
6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine has a molecular weight of 269.34 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)pyridine-2,3-diamine is sourced from PubChem (CID 115320592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).