2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine

C17H29N3O — CID 79865603

IUPAC2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NC2CCCCC2(C)C)ccc1N
InChIInChI=1S/C17H29N3O/c1-12(2)11-21-16-13(18)8-9-15(20-16)19-14-7-5-6-10-17(14,3)4/h8-9,12,14H,5-7,10-11,18H2,1-4H3,(H,19,20)
InChIKeyMCJBHTLULGAXJO-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.08
Rot. Bonds5

About 2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine

2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine (PubChem CID 79865603) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
PubChem CID79865603
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NC2CCCCC2(C)C)ccc1N
InChIInChI=1S/C17H29N3O/c1-12(2)11-21-16-13(18)8-9-15(20-16)19-14-7-5-6-10-17(14,3)4/h8-9,12,14H,5-7,10-11,18H2,1-4H3,(H,19,20)
InChIKeyMCJBHTLULGAXJO-UHFFFAOYSA-N
XLogP4.08
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine (CID 79865603) is 2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine is CC(C)COc1nc(NC2CCCCC2(C)C)ccc1N.
What is the InChIKey of 2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The InChIKey is MCJBHTLULGAXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)11-21-16-13(18)8-9-15(20-16)19-14-7-5-6-10-17(14,3)4/h8-9,12,14H,5-7,10-11,18H2,1-4H3,(H,19,20).
What are the key properties of 2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine has a molecular weight of 291.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine is sourced from PubChem (CID 79865603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).