2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C17H29N3O — CID 63995454

IUPAC2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC1CCC(Nc2ccc(N)c(OC(C)(C)C)n2)C(C)C1
InChIInChI=1S/C17H29N3O/c1-11-6-8-14(12(2)10-11)19-15-9-7-13(18)16(20-15)21-17(3,4)5/h7,9,11-12,14H,6,8,10,18H2,1-5H3,(H,19,20)
InChIKeyGFUJIVNQYOWUMV-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.08
Rot. Bonds3

About 2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 63995454) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID63995454
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC1CCC(Nc2ccc(N)c(OC(C)(C)C)n2)C(C)C1
InChIInChI=1S/C17H29N3O/c1-11-6-8-14(12(2)10-11)19-15-9-7-13(18)16(20-15)21-17(3,4)5/h7,9,11-12,14H,6,8,10,18H2,1-5H3,(H,19,20)
InChIKeyGFUJIVNQYOWUMV-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 63995454) is 2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CC1CCC(Nc2ccc(N)c(OC(C)(C)C)n2)C(C)C1.
What is the InChIKey of 2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is GFUJIVNQYOWUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-11-6-8-14(12(2)10-11)19-15-9-7-13(18)16(20-15)21-17(3,4)5/h7,9,11-12,14H,6,8,10,18H2,1-5H3,(H,19,20).
What are the key properties of 2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 291.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylcyclohexyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 63995454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).