1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol

C11H18N2O2 — CID 103449229

IUPAC1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol
SMILESCCC(O)(CC)C(O)c1cccnc1N
InChIInChI=1S/C11H18N2O2/c1-3-11(15,4-2)9(14)8-6-5-7-13-10(8)12/h5-7,9,14-15H,3-4H2,1-2H3,(H2,12,13)
InChIKeyUHTDBOBATGAIII-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.25
Rot. Bonds4

About 1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol

1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol (PubChem CID 103449229) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol
PubChem CID103449229
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol
SMILESCCC(O)(CC)C(O)c1cccnc1N
InChIInChI=1S/C11H18N2O2/c1-3-11(15,4-2)9(14)8-6-5-7-13-10(8)12/h5-7,9,14-15H,3-4H2,1-2H3,(H2,12,13)
InChIKeyUHTDBOBATGAIII-UHFFFAOYSA-N
XLogP1.25
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol
CID 79062350
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 116713305
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
CID 125425283
1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064575
1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889665
2-ethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
CID 103449352
N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882497
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol (CID 103449229) is 1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol is CCC(O)(CC)C(O)c1cccnc1N.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol?
The InChIKey is UHTDBOBATGAIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-11(15,4-2)9(14)8-6-5-7-13-10(8)12/h5-7,9,14-15H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol?
1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol has a molecular weight of 210.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol is sourced from PubChem (CID 103449229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).