6-N-cyclohexylpyridine-2,3,6-triamine

C11H18N4 — CID 79823249

IUPAC6-N-cyclohexylpyridine-2,3,6-triamine
SMILESNc1ccc(NC2CCCCC2)nc1N
InChIInChI=1S/C11H18N4/c12-9-6-7-10(15-11(9)13)14-8-4-2-1-3-5-8/h6-8H,1-5,12H2,(H3,13,14,15)
InChIKeyXPUHBAVUDHOZCU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.99
Rot. Bonds2

About 6-N-cyclohexylpyridine-2,3,6-triamine

6-N-cyclohexylpyridine-2,3,6-triamine (PubChem CID 79823249) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-N-cyclohexylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-cyclohexylpyridine-2,3,6-triamine
PubChem CID79823249
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name6-N-cyclohexylpyridine-2,3,6-triamine
SMILESNc1ccc(NC2CCCCC2)nc1N
InChIInChI=1S/C11H18N4/c12-9-6-7-10(15-11(9)13)14-8-4-2-1-3-5-8/h6-8H,1-5,12H2,(H3,13,14,15)
InChIKeyXPUHBAVUDHOZCU-UHFFFAOYSA-N
XLogP1.99
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexylpyridine-2,3,6-triamine?
The IUPAC name of 6-N-cyclohexylpyridine-2,3,6-triamine (CID 79823249) is 6-N-cyclohexylpyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-cyclohexylpyridine-2,3,6-triamine?
The canonical SMILES for 6-N-cyclohexylpyridine-2,3,6-triamine is Nc1ccc(NC2CCCCC2)nc1N.
What is the InChIKey of 6-N-cyclohexylpyridine-2,3,6-triamine?
The InChIKey is XPUHBAVUDHOZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-9-6-7-10(15-11(9)13)14-8-4-2-1-3-5-8/h6-8H,1-5,12H2,(H3,13,14,15).
What are the key properties of 6-N-cyclohexylpyridine-2,3,6-triamine?
6-N-cyclohexylpyridine-2,3,6-triamine has a molecular weight of 206.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexylpyridine-2,3,6-triamine is sourced from PubChem (CID 79823249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).