2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine

C14H22N2O — CID 75506955

IUPAC2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine
SMILESCc1ncccc1CN1CC(C)OCC1(C)C
InChIInChI=1S/C14H22N2O/c1-11-8-16(14(3,4)10-17-11)9-13-6-5-7-15-12(13)2/h5-7,11H,8-10H2,1-4H3
InChIKeyVEFDGPLWHWDFNT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.39
Rot. Bonds2

About 2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine

2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine (PubChem CID 75506955) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine
PubChem CID75506955
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine
SMILESCc1ncccc1CN1CC(C)OCC1(C)C
InChIInChI=1S/C14H22N2O/c1-11-8-16(14(3,4)10-17-11)9-13-6-5-7-15-12(13)2/h5-7,11H,8-10H2,1-4H3
InChIKeyVEFDGPLWHWDFNT-UHFFFAOYSA-N
XLogP2.39
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine?
The IUPAC name of 2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine (CID 75506955) is 2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine.
What is the SMILES notation for 2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine?
The canonical SMILES for 2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine is Cc1ncccc1CN1CC(C)OCC1(C)C.
What is the InChIKey of 2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine?
The InChIKey is VEFDGPLWHWDFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-8-16(14(3,4)10-17-11)9-13-6-5-7-15-12(13)2/h5-7,11H,8-10H2,1-4H3.
What are the key properties of 2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine?
2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine has a molecular weight of 234.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4-[(2-methyl-3-pyridinyl)methyl]morpholine is sourced from PubChem (CID 75506955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).