N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine

C13H22N2O2 — CID 103178569

IUPACN-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine
SMILESCOCCCOCCNC(C)c1ccccn1
InChIInChI=1S/C13H22N2O2/c1-12(13-6-3-4-7-15-13)14-8-11-17-10-5-9-16-2/h3-4,6-7,12,14H,5,8-11H2,1-2H3
InChIKeyLIRUJSBMFXEPAU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.79
Rot. Bonds9

About N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine

N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine (PubChem CID 103178569) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine
PubChem CID103178569
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine
SMILESCOCCCOCCNC(C)c1ccccn1
InChIInChI=1S/C13H22N2O2/c1-12(13-6-3-4-7-15-13)14-8-11-17-10-5-9-16-2/h3-4,6-7,12,14H,5,8-11H2,1-2H3
InChIKeyLIRUJSBMFXEPAU-UHFFFAOYSA-N
XLogP1.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 106452331
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834
methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401680
N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
CID 115872086

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine (CID 103178569) is N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine is COCCCOCCNC(C)c1ccccn1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine?
The InChIKey is LIRUJSBMFXEPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(13-6-3-4-7-15-13)14-8-11-17-10-5-9-16-2/h3-4,6-7,12,14H,5,8-11H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine?
N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 103178569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).