3-ethoxy-1-pyridin-2-ylpentan-2-amine

C12H20N2O — CID 116716297

IUPAC3-ethoxy-1-pyridin-2-ylpentan-2-amine
SMILESCCOC(CC)C(N)Cc1ccccn1
InChIInChI=1S/C12H20N2O/c1-3-12(15-4-2)11(13)9-10-7-5-6-8-14-10/h5-8,11-12H,3-4,9,13H2,1-2H3
InChIKeyBDBBGKFAUFOZEW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.77
Rot. Bonds6

About 3-ethoxy-1-pyridin-2-ylpentan-2-amine

3-ethoxy-1-pyridin-2-ylpentan-2-amine (PubChem CID 116716297) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-ethoxy-1-pyridin-2-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-pyridin-2-ylpentan-2-amine
PubChem CID116716297
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-ethoxy-1-pyridin-2-ylpentan-2-amine
SMILESCCOC(CC)C(N)Cc1ccccn1
InChIInChI=1S/C12H20N2O/c1-3-12(15-4-2)11(13)9-10-7-5-6-8-14-10/h5-8,11-12H,3-4,9,13H2,1-2H3
InChIKeyBDBBGKFAUFOZEW-UHFFFAOYSA-N
XLogP1.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-pyridin-2-ylpentan-2-amine
CID 104995303
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine
CID 140879240
(3-ethoxy-4-methyl-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105272297
3-methoxy-N-methyl-1-pyridin-2-ylpentan-2-amine
CID 116715417
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129
2-(2-propoxypropyl)pyridine
CID 121216796
3-(1-amino-2-ethoxybutyl)pyridin-2-amine
CID 116716352
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
CID 135132665

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-pyridin-2-ylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-pyridin-2-ylpentan-2-amine (CID 116716297) is 3-ethoxy-1-pyridin-2-ylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-pyridin-2-ylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-pyridin-2-ylpentan-2-amine is CCOC(CC)C(N)Cc1ccccn1.
What is the InChIKey of 3-ethoxy-1-pyridin-2-ylpentan-2-amine?
The InChIKey is BDBBGKFAUFOZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-12(15-4-2)11(13)9-10-7-5-6-8-14-10/h5-8,11-12H,3-4,9,13H2,1-2H3.
What are the key properties of 3-ethoxy-1-pyridin-2-ylpentan-2-amine?
3-ethoxy-1-pyridin-2-ylpentan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-pyridin-2-ylpentan-2-amine is sourced from PubChem (CID 116716297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).