1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol

C14H22N2O2 — CID 103458996

IUPAC1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol
SMILESCc1ccnc(N)c1C(O)C(O)C1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-9-7-8-16-14(15)11(9)13(18)12(17)10-5-3-2-4-6-10/h7-8,10,12-13,17-18H,2-6H2,1H3,(H2,15,16)
InChIKeyCODSEKOETBNHSL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.95
Rot. Bonds3

About 1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol

1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol (PubChem CID 103458996) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol
PubChem CID103458996
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol
SMILESCc1ccnc(N)c1C(O)C(O)C1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-9-7-8-16-14(15)11(9)13(18)12(17)10-5-3-2-4-6-10/h7-8,10,12-13,17-18H,2-6H2,1H3,(H2,15,16)
InChIKeyCODSEKOETBNHSL-UHFFFAOYSA-N
XLogP1.95
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-4-methyl-3-pyridinyl)-2-cyclopropylethane-1,2-diol
CID 103456736
(2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol
CID 114215752
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine
CID 80627136
(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol
CID 64832179
(2-amino-4-methyl-3-pyridinyl)-(2-methylfuran-3-yl)methanol
CID 104789433
3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine
CID 65392904
3-[(4-ethylcyclohexyl)-hydrazinylmethyl]-4-methylpyridin-2-amine
CID 105231546
4-methyl-3-[methylamino(oxolan-3-yl)methyl]pyridin-2-amine
CID 65329909
4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine
CID 80622489
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol
CID 176820199

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol?
The IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol (CID 103458996) is 1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol.
What is the SMILES notation for 1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol?
The canonical SMILES for 1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol is Cc1ccnc(N)c1C(O)C(O)C1CCCCC1.
What is the InChIKey of 1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol?
The InChIKey is CODSEKOETBNHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-8-16-14(15)11(9)13(18)12(17)10-5-3-2-4-6-10/h7-8,10,12-13,17-18H,2-6H2,1H3,(H2,15,16).
What are the key properties of 1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol?
1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol has a molecular weight of 250.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol is sourced from PubChem (CID 103458996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).