3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane

C19H34N2O — CID 144686793

IUPAC3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane
SMILESCCCCCCCC.Cc1ccc(CN2CC(C)(O)C2)nc1
InChIInChI=1S/C11H16N2O.C8H18/c1-9-3-4-10(12-5-9)6-13-7-11(2,14)8-13;1-3-5-7-8-6-4-2/h3-5,14H,6-8H2,1-2H3;3-8H2,1-2H3
InChIKeyRXKFPXLQXVURPB-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.32
Rot. Bonds7

About 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane

3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane (PubChem CID 144686793) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane.

Molecular Properties

Compound Name3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane
PubChem CID144686793
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane
SMILESCCCCCCCC.Cc1ccc(CN2CC(C)(O)C2)nc1
InChIInChI=1S/C11H16N2O.C8H18/c1-9-3-4-10(12-5-9)6-13-7-11(2,14)8-13;1-3-5-7-8-6-4-2/h3-5,14H,6-8H2,1-2H3;3-8H2,1-2H3
InChIKeyRXKFPXLQXVURPB-UHFFFAOYSA-N
XLogP4.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.32
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane?
The IUPAC name of 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane (CID 144686793) is 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane.
What is the SMILES notation for 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane?
The canonical SMILES for 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane is CCCCCCCC.Cc1ccc(CN2CC(C)(O)C2)nc1.
What is the InChIKey of 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane?
The InChIKey is RXKFPXLQXVURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C8H18/c1-9-3-4-10(12-5-9)6-13-7-11(2,14)8-13;1-3-5-7-8-6-4-2/h3-5,14H,6-8H2,1-2H3;3-8H2,1-2H3.
What are the key properties of 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane?
3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane has a molecular weight of 306.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane is sourced from PubChem (CID 144686793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).