1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol

C13H22N2O2 — CID 139202874

IUPAC1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)C/N=c1\ccccn1CC(C)(C)O
InChIInChI=1S/C13H22N2O2/c1-12(2,16)9-14-11-7-5-6-8-15(11)10-13(3,4)17/h5-8,16-17H,9-10H2,1-4H3/b14-11+
InChIKeyXVSYMWMUFKJBBU-SDNWHVSQSA-N
MW238.33 g/mol
LogP0.93
Rot. Bonds4

About 1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol

1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol (PubChem CID 139202874) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol
PubChem CID139202874
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)C/N=c1\ccccn1CC(C)(C)O
InChIInChI=1S/C13H22N2O2/c1-12(2,16)9-14-11-7-5-6-8-15(11)10-13(3,4)17/h5-8,16-17H,9-10H2,1-4H3/b14-11+
InChIKeyXVSYMWMUFKJBBU-SDNWHVSQSA-N
XLogP0.93
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxypyrido[1,2-a]pyrimidine
CID 129792007
2-methyl-3H-imidazo[1,2-a]pyridin-2-ol
CID 45082891
(2S)-2-methyl-3H-imidazo[1,2-a]pyridin-2-ol
CID 93495664
(2R)-2-methyl-3H-imidazo[1,2-a]pyridin-2-ol
CID 93495665

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol (CID 139202874) is 1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol is CC(C)(O)C/N=c1\ccccn1CC(C)(C)O.
What is the InChIKey of 1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol?
The InChIKey is XVSYMWMUFKJBBU-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(2,16)9-14-11-7-5-6-8-15(11)10-13(3,4)17/h5-8,16-17H,9-10H2,1-4H3/b14-11+.
What are the key properties of 1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol?
1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-hydroxy-2-methylpropyl)-2-pyridinylidene]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 139202874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).