2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine

C16H27N3O — CID 64741880

IUPAC2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(NC2CCC(C)C(C)C2)ccc1N
InChIInChI=1S/C16H27N3O/c1-10(2)20-16-14(17)7-8-15(19-16)18-13-6-5-11(3)12(4)9-13/h7-8,10-13H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyWLAYRMCOFMCFJT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds4

About 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 64741880) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID64741880
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(NC2CCC(C)C(C)C2)ccc1N
InChIInChI=1S/C16H27N3O/c1-10(2)20-16-14(17)7-8-15(19-16)18-13-6-5-11(3)12(4)9-13/h7-8,10-13H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyWLAYRMCOFMCFJT-UHFFFAOYSA-N
XLogP3.69
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 64741880) is 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine is CC(C)Oc1nc(NC2CCC(C)C(C)C2)ccc1N.
What is the InChIKey of 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is WLAYRMCOFMCFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10(2)20-16-14(17)7-8-15(19-16)18-13-6-5-11(3)12(4)9-13/h7-8,10-13H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylcyclohexyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 64741880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).