1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol

C13H20N2O2 — CID 103451752

IUPAC1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol
SMILESCc1cnc(N)c(C(O)C2(O)CCCCC2)c1
InChIInChI=1S/C13H20N2O2/c1-9-7-10(12(14)15-8-9)11(16)13(17)5-3-2-4-6-13/h7-8,11,16-17H,2-6H2,1H3,(H2,14,15)
InChIKeyJDGWOIVVZUERFP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.70
Rot. Bonds2

About 1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol

1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol (PubChem CID 103451752) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol
PubChem CID103451752
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol
SMILESCc1cnc(N)c(C(O)C2(O)CCCCC2)c1
InChIInChI=1S/C13H20N2O2/c1-9-7-10(12(14)15-8-9)11(16)13(17)5-3-2-4-6-13/h7-8,11,16-17H,2-6H2,1H3,(H2,14,15)
InChIKeyJDGWOIVVZUERFP-UHFFFAOYSA-N
XLogP1.70
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(dimethylamino)cyclohexyl]-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105243374
1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
CID 103452733
1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451734
1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol
CID 66046118
3-[(1-ethoxycyclopentyl)-(methylamino)methyl]-5-methylpyridin-2-amine
CID 116761829
1-(2-amino-5-methyl-3-pyridinyl)-2-cyclohexyl-2-ethoxyethanol
CID 116756726
3-[cyclooctyl(methylamino)methyl]-5-methylpyridin-2-amine
CID 80604124
3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine
CID 105255255
(2-amino-5-methyl-3-pyridinyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 65411370
1-(2-amino-5-methyl-3-pyridinyl)-3-(dimethylamino)propan-1-ol
CID 115345867
[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone
CID 116600748
1-(2-amino-5-methyl-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092617

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol (CID 103451752) is 1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol is Cc1cnc(N)c(C(O)C2(O)CCCCC2)c1.
What is the InChIKey of 1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol?
The InChIKey is JDGWOIVVZUERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-7-10(12(14)15-8-9)11(16)13(17)5-3-2-4-6-13/h7-8,11,16-17H,2-6H2,1H3,(H2,14,15).
What are the key properties of 1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol?
1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-methyl-3-pyridinyl)-hydroxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 103451752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).