2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine

C17H23N3O — CID 65482936

IUPAC2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(N(C)CCc2ccccc2)ccc1N
InChIInChI=1S/C17H23N3O/c1-3-13-21-17-15(18)9-10-16(19-17)20(2)12-11-14-7-5-4-6-8-14/h4-10H,3,11-13,18H2,1-2H3
InChIKeyCETPWXFDDQMITA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds7

About 2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine

2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine (PubChem CID 65482936) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine
PubChem CID65482936
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(N(C)CCc2ccccc2)ccc1N
InChIInChI=1S/C17H23N3O/c1-3-13-21-17-15(18)9-10-16(19-17)20(2)12-11-14-7-5-4-6-8-14/h4-10H,3,11-13,18H2,1-2H3
InChIKeyCETPWXFDDQMITA-UHFFFAOYSA-N
XLogP3.13
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine (CID 65482936) is 2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(N(C)CCc2ccccc2)ccc1N.
What is the InChIKey of 2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is CETPWXFDDQMITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-13-21-17-15(18)9-10-16(19-17)20(2)12-11-14-7-5-4-6-8-14/h4-10H,3,11-13,18H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine?
2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 65482936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).