6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol

C14H22N2O — CID 79794020

IUPAC6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol
SMILESCC1CC(C)CC(NCc2ccc(O)cn2)C1
InChIInChI=1S/C14H22N2O/c1-10-5-11(2)7-13(6-10)15-8-12-3-4-14(17)9-16-12/h3-4,9-11,13,15,17H,5-8H2,1-2H3
InChIKeyUKASNCLNFWEAKT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.70
Rot. Bonds3

About 6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol

6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol (PubChem CID 79794020) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol
PubChem CID79794020
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol
SMILESCC1CC(C)CC(NCc2ccc(O)cn2)C1
InChIInChI=1S/C14H22N2O/c1-10-5-11(2)7-13(6-10)15-8-12-3-4-14(17)9-16-12/h3-4,9-11,13,15,17H,5-8H2,1-2H3
InChIKeyUKASNCLNFWEAKT-UHFFFAOYSA-N
XLogP2.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol (CID 79794020) is 6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol is CC1CC(C)CC(NCc2ccc(O)cn2)C1.
What is the InChIKey of 6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol?
The InChIKey is UKASNCLNFWEAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-5-11(2)7-13(6-10)15-8-12-3-4-14(17)9-16-12/h3-4,9-11,13,15,17H,5-8H2,1-2H3.
What are the key properties of 6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol?
6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol has a molecular weight of 234.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3,5-dimethylcyclohexyl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 79794020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).