2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine

C15H25N3O — CID 63406207

IUPAC2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NC2(C)CCCCC2)ccc1N
InChIInChI=1S/C15H25N3O/c1-3-11-19-14-12(16)7-8-13(17-14)18-15(2)9-5-4-6-10-15/h7-8H,3-6,9-11,16H2,1-2H3,(H,17,18)
InChIKeyIEDKUEIBQICDGL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.59
Rot. Bonds5

About 2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine

2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine (PubChem CID 63406207) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine
PubChem CID63406207
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NC2(C)CCCCC2)ccc1N
InChIInChI=1S/C15H25N3O/c1-3-11-19-14-12(16)7-8-13(17-14)18-15(2)9-5-4-6-10-15/h7-8H,3-6,9-11,16H2,1-2H3,(H,17,18)
InChIKeyIEDKUEIBQICDGL-UHFFFAOYSA-N
XLogP3.59
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine (CID 63406207) is 2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(NC2(C)CCCCC2)ccc1N.
What is the InChIKey of 2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is IEDKUEIBQICDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-11-19-14-12(16)7-8-13(17-14)18-15(2)9-5-4-6-10-15/h7-8H,3-6,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine?
2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 263.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylcyclohexyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 63406207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).