3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine

C13H22N2O — CID 116716532

IUPAC3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine
SMILESCCOC(CC)C(Cc1ccncc1)NC
InChIInChI=1S/C13H22N2O/c1-4-13(16-5-2)12(14-3)10-11-6-8-15-9-7-11/h6-9,12-14H,4-5,10H2,1-3H3
InChIKeyGVNQRNPNGXOZPQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.03
Rot. Bonds7

About 3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine

3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine (PubChem CID 116716532) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine
PubChem CID116716532
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine
SMILESCCOC(CC)C(Cc1ccncc1)NC
InChIInChI=1S/C13H22N2O/c1-4-13(16-5-2)12(14-3)10-11-6-8-15-9-7-11/h6-9,12-14H,4-5,10H2,1-3H3
InChIKeyGVNQRNPNGXOZPQ-UHFFFAOYSA-N
XLogP2.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116717105
1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine
CID 105406994
N-methyl-1-propan-2-yloxy-3-pyridin-4-ylpropan-2-amine
CID 79573917
4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine
CID 116716710
1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715433
3-methoxy-1-pyridin-4-ylpentan-2-ol
CID 116710698
3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116759816
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553099
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105270915
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine?
The IUPAC name of 3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine (CID 116716532) is 3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine?
The canonical SMILES for 3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine is CCOC(CC)C(Cc1ccncc1)NC.
What is the InChIKey of 3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine?
The InChIKey is GVNQRNPNGXOZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-13(16-5-2)12(14-3)10-11-6-8-15-9-7-11/h6-9,12-14H,4-5,10H2,1-3H3.
What are the key properties of 3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine?
3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine is sourced from PubChem (CID 116716532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).