2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine

C13H22N2O — CID 114941166

IUPAC2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine
SMILESCCOC(C)(C)CNC(C)c1ccccn1
InChIInChI=1S/C13H22N2O/c1-5-16-13(3,4)10-15-11(2)12-8-6-7-9-14-12/h6-9,11,15H,5,10H2,1-4H3
InChIKeyJHPKCEPCTFMOFV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.55
Rot. Bonds6

About 2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine

2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine (PubChem CID 114941166) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine
PubChem CID114941166
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine
SMILESCCOC(C)(C)CNC(C)c1ccccn1
InChIInChI=1S/C13H22N2O/c1-5-16-13(3,4)10-15-11(2)12-8-6-7-9-14-12/h6-9,11,15H,5,10H2,1-4H3
InChIKeyJHPKCEPCTFMOFV-UHFFFAOYSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,2-trimethyl-1-N-(1-pyridin-2-ylethyl)propane-1,2-diamine
CID 43203109
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
2,2-difluoro-3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104860444
2,2-difluoro-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104893387
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol
CID 103904295
4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile
CID 113489921
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]butan-1-amine
CID 28647872
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine (CID 114941166) is 2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine is CCOC(C)(C)CNC(C)c1ccccn1.
What is the InChIKey of 2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine?
The InChIKey is JHPKCEPCTFMOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-16-13(3,4)10-15-11(2)12-8-6-7-9-14-12/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine?
2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 114941166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).