3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine

C14H24N2O2 — CID 28584690

IUPAC3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCOCCCNCc1ncc(C)c(OC)c1C
InChIInChI=1S/C14H24N2O2/c1-5-18-8-6-7-15-10-13-12(3)14(17-4)11(2)9-16-13/h9,15H,5-8,10H2,1-4H3
InChIKeyCRIUELAXIILLJN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.22
Rot. Bonds8

About 3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine

3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 28584690) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID28584690
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCOCCCNCc1ncc(C)c(OC)c1C
InChIInChI=1S/C14H24N2O2/c1-5-18-8-6-7-15-10-13-12(3)14(17-4)11(2)9-16-13/h9,15H,5-8,10H2,1-4H3
InChIKeyCRIUELAXIILLJN-UHFFFAOYSA-N
XLogP2.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine (CID 28584690) is 3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine is CCOCCCNCc1ncc(C)c(OC)c1C.
What is the InChIKey of 3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is CRIUELAXIILLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-18-8-6-7-15-10-13-12(3)14(17-4)11(2)9-16-13/h9,15H,5-8,10H2,1-4H3.
What are the key properties of 3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine?
3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 28584690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).