1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol

C13H22N2O2 — CID 116713305

IUPAC1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol
SMILESCCOC(C(O)c1cccnc1N)C(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-5-17-11(13(2,3)4)10(16)9-7-6-8-15-12(9)14/h6-8,10-11,16H,5H2,1-4H3,(H2,14,15)
InChIKeyVFEBKVPUODNRBV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol

1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol (PubChem CID 116713305) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol
PubChem CID116713305
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol
SMILESCCOC(C(O)c1cccnc1N)C(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-5-17-11(13(2,3)4)10(16)9-7-6-8-15-12(9)14/h6-8,10-11,16H,5H2,1-4H3,(H2,14,15)
InChIKeyVFEBKVPUODNRBV-UHFFFAOYSA-N
XLogP2.15
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050
3-(1-amino-2-ethoxybutyl)pyridin-2-amine
CID 116716352
1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol
CID 103449229
2-ethoxy-3,3-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 116713377
2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol
CID 116713427
3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine
CID 116716649
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol
CID 79062350
1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889665
1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol
CID 64541569
2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol
CID 116713256
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol (CID 116713305) is 1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol is CCOC(C(O)c1cccnc1N)C(C)(C)C.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol?
The InChIKey is VFEBKVPUODNRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-17-11(13(2,3)4)10(16)9-7-6-8-15-12(9)14/h6-8,10-11,16H,5H2,1-4H3,(H2,14,15).
What are the key properties of 1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol?
1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 116713305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).