N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine

C13H20N2O — CID 103852827

IUPACN-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine
SMILESC=CCCOCCNC(C)c1ccncc1
InChIInChI=1S/C13H20N2O/c1-3-4-10-16-11-9-15-12(2)13-5-7-14-8-6-13/h3,5-8,12,15H,1,4,9-11H2,2H3
InChIKeyNLIOHHAMYWAYOV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine

N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine (PubChem CID 103852827) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine
PubChem CID103852827
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine
SMILESC=CCCOCCNC(C)c1ccncc1
InChIInChI=1S/C13H20N2O/c1-3-4-10-16-11-9-15-12(2)13-5-7-14-8-6-13/h3,5-8,12,15H,1,4,9-11H2,2H3
InChIKeyNLIOHHAMYWAYOV-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine
CID 113338705
1-(1,3-benzodioxol-5-yl)-N-(2-but-3-enoxyethyl)ethanamine
CID 103905055
N-(2-prop-2-enylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 115889029
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
2-[1-(2-but-3-enoxyethylamino)ethyl]benzene-1,4-diol
CID 114183605
N-[(1S)-1-pyridin-4-ylethyl]hex-5-en-2-amine
CID 104655811
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
1-(5-bromo-2-fluorophenyl)-N-(2-but-3-enoxyethyl)ethanamine
CID 113349199
3-(2-but-3-enoxyethylamino)butan-2-ol
CID 106401424
N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 103904996
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
N-[(1R)-1-(4-methoxyphenyl)ethyl]but-3-en-1-amine
CID 71661481

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine (CID 103852827) is N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine is C=CCCOCCNC(C)c1ccncc1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine?
The InChIKey is NLIOHHAMYWAYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-10-16-11-9-15-12(2)13-5-7-14-8-6-13/h3,5-8,12,15H,1,4,9-11H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine?
N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine has a molecular weight of 220.32 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 103852827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).