N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine

C12H20N2O — CID 3025101

IUPACN,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine
SMILESCCN(CC)CCOCc1cccnc1
InChIInChI=1S/C12H20N2O/c1-3-14(4-2)8-9-15-11-12-6-5-7-13-10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyZXYQSKPNANNMKG-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.94
Rot. Bonds7

About N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine

N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine (PubChem CID 3025101) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine
PubChem CID3025101
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine
SMILESCCN(CC)CCOCc1cccnc1
InChIInChI=1S/C12H20N2O/c1-3-14(4-2)8-9-15-11-12-6-5-7-13-10-12/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyZXYQSKPNANNMKG-UHFFFAOYSA-N
XLogP1.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
3-(3,3-dimethylbutoxymethyl)pyridine
CID 154991745
N-methyl-N-[2-(pyridin-3-ylmethoxy)ethyl]but-3-yn-2-amine
CID 175219429
N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 134112447
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
CID 110612739
2-methyl-1-(pyridin-3-ylmethoxy)butan-2-amine
CID 64572514
3-ethylpyridine
CID 10823
trimethyl(pyridin-3-ylmethoxy)silane
CID 11063032
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3,3-dimethyl-1-(pyridin-3-ylmethoxy)butan-2-one
CID 129255792

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine (CID 3025101) is N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine is CCN(CC)CCOCc1cccnc1.
What is the InChIKey of N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine?
The InChIKey is ZXYQSKPNANNMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(4-2)8-9-15-11-12-6-5-7-13-10-12/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine?
N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine is sourced from PubChem (CID 3025101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).