N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine

C14H23N3O — CID 106907286

IUPACN-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)Cc1cccc(CNC)n1
InChIInChI=1S/C14H23N3O/c1-4-8-17(9-10-18-3)12-14-7-5-6-13(16-14)11-15-2/h4-7,15H,1,8-12H2,2-3H3
InChIKeyKBSGKRKVUNDAJQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.44
Rot. Bonds9

About N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine

N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine (PubChem CID 106907286) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine
PubChem CID106907286
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)Cc1cccc(CNC)n1
InChIInChI=1S/C14H23N3O/c1-4-8-17(9-10-18-3)12-14-7-5-6-13(16-14)11-15-2/h4-7,15H,1,8-12H2,2-3H3
InChIKeyKBSGKRKVUNDAJQ-UHFFFAOYSA-N
XLogP1.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106906404
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340393
N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine
CID 103340400
N-ethyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106905733
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340228
1-[6-(2-methoxyethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292157
4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline
CID 106906232
N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 106906032
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 103340163
2-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62462653
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 106906356

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine (CID 106907286) is N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine is C=CCN(CCOC)Cc1cccc(CNC)n1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine?
The InChIKey is KBSGKRKVUNDAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-8-17(9-10-18-3)12-14-7-5-6-13(16-14)11-15-2/h4-7,15H,1,8-12H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine?
N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine has a molecular weight of 249.36 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 106907286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).