6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine

C12H21N3O2 — CID 80795235

IUPAC6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(N(CCOC)CCOC)n1
InChIInChI=1S/C12H21N3O2/c1-13-11-5-4-6-12(14-11)15(7-9-16-2)8-10-17-3/h4-6H,7-10H2,1-3H3,(H,13,14)
InChIKeyQOSGOQOYYJOHMZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.22
Rot. Bonds8

About 6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine

6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine (PubChem CID 80795235) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
PubChem CID80795235
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(N(CCOC)CCOC)n1
InChIInChI=1S/C12H21N3O2/c1-13-11-5-4-6-12(14-11)15(7-9-16-2)8-10-17-3/h4-6H,7-10H2,1-3H3,(H,13,14)
InChIKeyQOSGOQOYYJOHMZ-UHFFFAOYSA-N
XLogP1.22
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine (CID 80795235) is 6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine is CNc1cccc(N(CCOC)CCOC)n1.
What is the InChIKey of 6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is QOSGOQOYYJOHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-11-5-4-6-12(14-11)15(7-9-16-2)8-10-17-3/h4-6H,7-10H2,1-3H3,(H,13,14).
What are the key properties of 6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine?
6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80795235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).