2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine

C15H25N3O — CID 63402666

IUPAC2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine
SMILESCCOc1nc(N(C)CC2CCCCC2)ccc1N
InChIInChI=1S/C15H25N3O/c1-3-19-15-13(16)9-10-14(17-15)18(2)11-12-7-5-4-6-8-12/h9-10,12H,3-8,11,16H2,1-2H3
InChIKeyTZJNWKGNGDBOFG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.08
Rot. Bonds5

About 2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine

2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine (PubChem CID 63402666) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine
PubChem CID63402666
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine
SMILESCCOc1nc(N(C)CC2CCCCC2)ccc1N
InChIInChI=1S/C15H25N3O/c1-3-19-15-13(16)9-10-14(17-15)18(2)11-12-7-5-4-6-8-12/h9-10,12H,3-8,11,16H2,1-2H3
InChIKeyTZJNWKGNGDBOFG-UHFFFAOYSA-N
XLogP3.08
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine (CID 63402666) is 2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine is CCOc1nc(N(C)CC2CCCCC2)ccc1N.
What is the InChIKey of 2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine?
The InChIKey is TZJNWKGNGDBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-15-13(16)9-10-14(17-15)18(2)11-12-7-5-4-6-8-12/h9-10,12H,3-8,11,16H2,1-2H3.
What are the key properties of 2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine?
2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine has a molecular weight of 263.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine is sourced from PubChem (CID 63402666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).