4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine

C13H23N3O — CID 81074834

IUPAC4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(CN(C)CCOCC)ccn1
InChIInChI=1S/C13H23N3O/c1-4-14-13-10-12(6-7-15-13)11-16(3)8-9-17-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,14,15)
InChIKeyJZEUXCIBNWQMNI-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds8

About 4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine

4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine (PubChem CID 81074834) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
PubChem CID81074834
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(CN(C)CCOCC)ccn1
InChIInChI=1S/C13H23N3O/c1-4-14-13-10-12(6-7-15-13)11-16(3)8-9-17-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,14,15)
InChIKeyJZEUXCIBNWQMNI-UHFFFAOYSA-N
XLogP1.98
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.98
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

4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide
CID 62472420
4-[[2-methoxyethyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62466112
1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62464336
6-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81073763
N-ethyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075650
N-ethyl-4-[[furan-2-ylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62471347
2-ethoxy-N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 63690883
N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075130
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylpropan-1-amine
CID 62469964
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine (CID 81074834) is 4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine is CCNc1cc(CN(C)CCOCC)ccn1.
What is the InChIKey of 4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
The InChIKey is JZEUXCIBNWQMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-14-13-10-12(6-7-15-13)11-16(3)8-9-17-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,14,15).
What are the key properties of 4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine?
4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 81074834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).