1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine

C15H26N2O3 — CID 102927982

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine
SMILESCOCCOCCC(N)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H26N2O3/c1-11-10-17-14(12(2)15(11)19-4)9-13(16)5-6-20-8-7-18-3/h10,13H,5-9,16H2,1-4H3
InChIKeyXIEWCAMLZFRXRS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.63
Rot. Bonds9

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine (PubChem CID 102927982) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine
PubChem CID102927982
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine
SMILESCOCCOCCC(N)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H26N2O3/c1-11-10-17-14(12(2)15(11)19-4)9-13(16)5-6-20-8-7-18-3/h10,13H,5-9,16H2,1-4H3
InChIKeyXIEWCAMLZFRXRS-UHFFFAOYSA-N
XLogP1.63
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine (CID 102927982) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine is COCCOCCC(N)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine?
The InChIKey is XIEWCAMLZFRXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-10-17-14(12(2)15(11)19-4)9-13(16)5-6-20-8-7-18-3/h10,13H,5-9,16H2,1-4H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine has a molecular weight of 282.38 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine is sourced from PubChem (CID 102927982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).