2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine

C39H60N4O4 — CID 156651440

IUPAC2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(C2CCOCC2)cn1.CCC(C)c1ccc(C(C)(O)CC)cn1.CCc1ccc(N2CCOC(COC)C2)cn1
InChIInChI=1S/C13H20N2O2.C13H19NO.C13H21NO/c1-3-11-4-5-12(8-14-11)15-6-7-17-13(9-15)10-16-2;1-10(2)13-4-3-12(9-14-13)11-5-7-15-8-6-11;1-5-10(3)12-8-7-11(9-14-12)13(4,15)6-2/h4-5,8,13H,3,6-7,9-10H2,1-2H3;3-4,9-11H,5-8H2,1-2H3;7-10,15H,5-6H2,1-4H3
InChIKeyNCKDFAGCWAHUGM-UHFFFAOYSA-N
MW648.93 g/mol
LogP7.81
Rot. Bonds10

About 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine

2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine (PubChem CID 156651440) has the molecular formula C39H60N4O4 and a molecular weight of 648.93 g/mol. Its IUPAC name is 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine
PubChem CID156651440
Molecular FormulaC39H60N4O4
Molecular Weight648.93 g/mol
Exact Mass648.46
IUPAC Name2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(C2CCOCC2)cn1.CCC(C)c1ccc(C(C)(O)CC)cn1.CCc1ccc(N2CCOC(COC)C2)cn1
InChIInChI=1S/C13H20N2O2.C13H19NO.C13H21NO/c1-3-11-4-5-12(8-14-11)15-6-7-17-13(9-15)10-16-2;1-10(2)13-4-3-12(9-14-13)11-5-7-15-8-6-11;1-5-10(3)12-8-7-11(9-14-12)13(4,15)6-2/h4-5,8,13H,3,6-7,9-10H2,1-2H3;3-4,9-11H,5-8H2,1-2H3;7-10,15H,5-6H2,1-4H3
InChIKeyNCKDFAGCWAHUGM-UHFFFAOYSA-N
XLogP7.81
TPSA89.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.93
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine?
The IUPAC name of 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine (CID 156651440) is 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine.
What is the SMILES notation for 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine?
The canonical SMILES for 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine is CC(C)c1ccc(C2CCOCC2)cn1.CCC(C)c1ccc(C(C)(O)CC)cn1.CCc1ccc(N2CCOC(COC)C2)cn1.
What is the InChIKey of 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine?
The InChIKey is NCKDFAGCWAHUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.C13H19NO.C13H21NO/c1-3-11-4-5-12(8-14-11)15-6-7-17-13(9-15)10-16-2;1-10(2)13-4-3-12(9-14-13)11-5-7-15-8-6-11;1-5-10(3)12-8-7-11(9-14-12)13(4,15)6-2/h4-5,8,13H,3,6-7,9-10H2,1-2H3;3-4,9-11H,5-8H2,1-2H3;7-10,15H,5-6H2,1-4H3.
What are the key properties of 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine?
2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine has a molecular weight of 648.93 g/mol, XLogP of 7.81, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butan-2-yl-3-pyridinyl)butan-2-ol;4-(6-ethyl-3-pyridinyl)-2-(methoxymethyl)morpholine;5-(oxan-4-yl)-2-propan-2-ylpyridine is sourced from PubChem (CID 156651440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).