3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine

C11H18N2O — CID 114997349

IUPAC3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine
SMILESCCOCCC(NC)c1ccccn1
InChIInChI=1S/C11H18N2O/c1-3-14-9-7-10(12-2)11-6-4-5-8-13-11/h4-6,8,10,12H,3,7,9H2,1-2H3
InChIKeyVJSILMOWXLCBQR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.77
Rot. Bonds6

About 3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine

3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine (PubChem CID 114997349) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine
PubChem CID114997349
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine
SMILESCCOCCC(NC)c1ccccn1
InChIInChI=1S/C11H18N2O/c1-3-14-9-7-10(12-2)11-6-4-5-8-13-11/h4-6,8,10,12H,3,7,9H2,1-2H3
InChIKeyVJSILMOWXLCBQR-UHFFFAOYSA-N
XLogP1.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine
CID 55155535
3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine
CID 106815072
N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine
CID 116831660
N'-ethyl-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 116950392
N-ethyl-5-methyl-1-pyridin-2-ylhexan-1-amine
CID 83161018
3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine
CID 112688299
1-(2-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 55120655
2-[(2R)-1-ethoxypropan-2-yl]pyridine
CID 122697916
1-(4-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62791020
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
3-butoxy-N-methyl-1-pyrimidin-2-ylpropan-1-amine
CID 115001546
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine (CID 114997349) is 3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine is CCOCCC(NC)c1ccccn1.
What is the InChIKey of 3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine?
The InChIKey is VJSILMOWXLCBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-14-9-7-10(12-2)11-6-4-5-8-13-11/h4-6,8,10,12H,3,7,9H2,1-2H3.
What are the key properties of 3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine?
3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 114997349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).