2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol

C15H25N3O2 — CID 111468362

IUPAC2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1ncccc1CNCC(C)(O)CN1CCOCC1
InChIInChI=1S/C15H25N3O2/c1-13-14(4-3-5-17-13)10-16-11-15(2,19)12-18-6-8-20-9-7-18/h3-5,16,19H,6-12H2,1-2H3
InChIKeyQMAYFPUTPJVGMV-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.56
Rot. Bonds6

About 2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol

2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111468362) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111468362
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1ncccc1CNCC(C)(O)CN1CCOCC1
InChIInChI=1S/C15H25N3O2/c1-13-14(4-3-5-17-13)10-16-11-15(2,19)12-18-6-8-20-9-7-18/h3-5,16,19H,6-12H2,1-2H3
InChIKeyQMAYFPUTPJVGMV-UHFFFAOYSA-N
XLogP0.56
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol (CID 111468362) is 2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol is Cc1ncccc1CNCC(C)(O)CN1CCOCC1.
What is the InChIKey of 2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is QMAYFPUTPJVGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13-14(4-3-5-17-13)10-16-11-15(2,19)12-18-6-8-20-9-7-18/h3-5,16,19H,6-12H2,1-2H3.
What are the key properties of 2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol?
2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111468362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).