N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine

C13H20N2O — CID 79598410

IUPACN-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine
SMILESCOCCNCCC=CCc1ccccn1
InChIInChI=1S/C13H20N2O/c1-16-12-11-14-9-5-2-3-7-13-8-4-6-10-15-13/h2-4,6,8,10,14H,5,7,9,11-12H2,1H3
InChIKeyGZBKLEKNEKPZKS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.81
Rot. Bonds8

About N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine

N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine (PubChem CID 79598410) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine
PubChem CID79598410
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine
SMILESCOCCNCCC=CCc1ccccn1
InChIInChI=1S/C13H20N2O/c1-16-12-11-14-9-5-2-3-7-13-8-4-6-10-15-13/h2-4,6,8,10,14H,5,7,9,11-12H2,1H3
InChIKeyGZBKLEKNEKPZKS-UHFFFAOYSA-N
XLogP1.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine
CID 79598548
5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79597905
N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79762322
N-(2-methoxyethyl)-5-thiophen-2-ylpent-3-en-1-amine
CID 79599821
1-(2-methoxyethylamino)-3-pyridin-2-ylpropan-2-one
CID 116591647
2-methoxy-N-[[2-(2-pyridin-2-ylethoxy)phenyl]methyl]ethanamine
CID 63058176
(E)-5-(3-chloro-2-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 102864136
N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine
CID 79597918
N-(2-methoxyethyl)-N'-methyl-N'-pyridin-2-ylethane-1,2-diamine
CID 62588167
4-(2-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598671
N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598149
4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63060220

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine (CID 79598410) is N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine is COCCNCCC=CCc1ccccn1.
What is the InChIKey of N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine?
The InChIKey is GZBKLEKNEKPZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-12-11-14-9-5-2-3-7-13-8-4-6-10-15-13/h2-4,6,8,10,14H,5,7,9,11-12H2,1H3.
What are the key properties of N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine?
N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine is sourced from PubChem (CID 79598410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).