N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine

C13H22N2O — CID 3025103

IUPACN,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine
SMILESCCN(CC)C(C)COCc1cccnc1
InChIInChI=1S/C13H22N2O/c1-4-15(5-2)12(3)10-16-11-13-7-6-8-14-9-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyGWDKDLWJHRZEJB-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.33
Rot. Bonds7

About N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine

N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine (PubChem CID 3025103) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine
PubChem CID3025103
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine
SMILESCCN(CC)C(C)COCc1cccnc1
InChIInChI=1S/C13H22N2O/c1-4-15(5-2)12(3)10-16-11-13-7-6-8-14-9-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyGWDKDLWJHRZEJB-UHFFFAOYSA-N
XLogP2.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine?
The IUPAC name of N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine (CID 3025103) is N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine.
What is the SMILES notation for N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine?
The canonical SMILES for N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine is CCN(CC)C(C)COCc1cccnc1.
What is the InChIKey of N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine?
The InChIKey is GWDKDLWJHRZEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15(5-2)12(3)10-16-11-13-7-6-8-14-9-13/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine?
N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(pyridin-3-ylmethoxy)propan-2-amine is sourced from PubChem (CID 3025103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).