5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol

C15H22N2O2 — CID 135828613

IUPAC5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@H]2C)c1O
InChIInChI=1S/C15H22N2O2/c1-10-5-3-4-6-14(10)17-8-13-12(9-18)7-16-11(2)15(13)19/h7-8,10,14,18-19H,3-6,9H2,1-2H3/b17-8+/t10-,14-/m1/s1
InChIKeyWBQLJQFQLBCBQB-GSAIQRRHSA-N
MW262.35 g/mol
LogP2.59
Rot. Bonds3

About 5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol (PubChem CID 135828613) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol
PubChem CID135828613
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@H]2C)c1O
InChIInChI=1S/C15H22N2O2/c1-10-5-3-4-6-14(10)17-8-13-12(9-18)7-16-11(2)15(13)19/h7-8,10,14,18-19H,3-6,9H2,1-2H3/b17-8+/t10-,14-/m1/s1
InChIKeyWBQLJQFQLBCBQB-GSAIQRRHSA-N
XLogP2.59
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol (CID 135828613) is 5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@H]2C)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol?
The InChIKey is WBQLJQFQLBCBQB-GSAIQRRHSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-5-3-4-6-14(10)17-8-13-12(9-18)7-16-11(2)15(13)19/h7-8,10,14,18-19H,3-6,9H2,1-2H3/b17-8+/t10-,14-/m1/s1.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol has a molecular weight of 262.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol is sourced from PubChem (CID 135828613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).