2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol

C13H22N2O2 — CID 79359765

IUPAC2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
SMILESCC(C)Oc1ncccc1NCCC(C)(C)O
InChIInChI=1S/C13H22N2O2/c1-10(2)17-12-11(6-5-8-15-12)14-9-7-13(3,4)16/h5-6,8,10,14,16H,7,9H2,1-4H3
InChIKeyHDFKGRAMMSOOOA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.44
Rot. Bonds6

About 2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol

2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol (PubChem CID 79359765) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
PubChem CID79359765
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
SMILESCC(C)Oc1ncccc1NCCC(C)(C)O
InChIInChI=1S/C13H22N2O2/c1-10(2)17-12-11(6-5-8-15-12)14-9-7-13(3,4)16/h5-6,8,10,14,16H,7,9H2,1-4H3
InChIKeyHDFKGRAMMSOOOA-UHFFFAOYSA-N
XLogP2.44
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379623
N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine
CID 81093253
N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine
CID 113436858
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
CID 63456333
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 103001068
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol (CID 79359765) is 2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol is CC(C)Oc1ncccc1NCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol?
The InChIKey is HDFKGRAMMSOOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)17-12-11(6-5-8-15-12)14-9-7-13(3,4)16/h5-6,8,10,14,16H,7,9H2,1-4H3.
What are the key properties of 2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol?
2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 79359765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).