2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C17H29N3O — CID 43261052

IUPAC2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(NC2CCCCCCC2)ccc1N
InChIInChI=1S/C17H29N3O/c1-17(2,3)21-16-14(18)11-12-15(20-16)19-13-9-7-5-4-6-8-10-13/h11-13H,4-10,18H2,1-3H3,(H,19,20)
InChIKeyHZHARIQDFMLXSO-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.37
Rot. Bonds3

About 2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 43261052) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID43261052
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(NC2CCCCCCC2)ccc1N
InChIInChI=1S/C17H29N3O/c1-17(2,3)21-16-14(18)11-12-15(20-16)19-13-9-7-5-4-6-8-10-13/h11-13H,4-10,18H2,1-3H3,(H,19,20)
InChIKeyHZHARIQDFMLXSO-UHFFFAOYSA-N
XLogP4.37
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 43261052) is 2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CC(C)(C)Oc1nc(NC2CCCCCCC2)ccc1N.
What is the InChIKey of 2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is HZHARIQDFMLXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)21-16-14(18)11-12-15(20-16)19-13-9-7-5-4-6-8-10-13/h11-13H,4-10,18H2,1-3H3,(H,19,20).
What are the key properties of 2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 291.44 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclooctyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 43261052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).