N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine

C12H18N2O — CID 79775993

IUPACN-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine
SMILESC=CC(C)Oc1ccc(CNCC)nc1
InChIInChI=1S/C12H18N2O/c1-4-10(3)15-12-7-6-11(14-9-12)8-13-5-2/h4,6-7,9-10,13H,1,5,8H2,2-3H3
InChIKeyJQGSQKWXIAEUIX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.14
Rot. Bonds6

About N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine

N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine (PubChem CID 79775993) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine
PubChem CID79775993
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine
SMILESC=CC(C)Oc1ccc(CNCC)nc1
InChIInChI=1S/C12H18N2O/c1-4-10(3)15-12-7-6-11(14-9-12)8-13-5-2/h4,6-7,9-10,13H,1,5,8H2,2-3H3
InChIKeyJQGSQKWXIAEUIX-UHFFFAOYSA-N
XLogP2.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N-(ethylcarbamoyl)propanamide
CID 79782281
ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate
CID 83038413
N-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]ethanamine
CID 80700229
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 79776683
N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79783974
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79794727
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 105402630
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79776328
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
CID 79776211

Frequently Asked Questions

What is the IUPAC name of N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine (CID 79775993) is N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine is C=CC(C)Oc1ccc(CNCC)nc1.
What is the InChIKey of N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is JQGSQKWXIAEUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-10(3)15-12-7-6-11(14-9-12)8-13-5-2/h4,6-7,9-10,13H,1,5,8H2,2-3H3.
What are the key properties of N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine?
N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 206.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-but-3-en-2-yloxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 79775993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).