3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol

C14H24N2O2 — CID 114228723

IUPAC3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
SMILESCOC(C)(C)C(O)CN(C)CCc1ccccn1
InChIInChI=1S/C14H24N2O2/c1-14(2,18-4)13(17)11-16(3)10-8-12-7-5-6-9-15-12/h5-7,9,13,17H,8,10-11H2,1-4H3
InChIKeyUGASPMAKEUTVHC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.34
Rot. Bonds7

About 3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol

3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol (PubChem CID 114228723) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
PubChem CID114228723
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
SMILESCOC(C)(C)C(O)CN(C)CCc1ccccn1
InChIInChI=1S/C14H24N2O2/c1-14(2,18-4)13(17)11-16(3)10-8-12-7-5-6-9-15-12/h5-7,9,13,17H,8,10-11H2,1-4H3
InChIKeyUGASPMAKEUTVHC-UHFFFAOYSA-N
XLogP1.34
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
1-(methylamino)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 43187938
1-(1-methoxypropan-2-yloxy)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 106991705
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
CID 115251118
N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine
CID 162487755
1-(3,5-dimethylphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanol
CID 79037353
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide
CID 103370556

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol (CID 114228723) is 3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol is COC(C)(C)C(O)CN(C)CCc1ccccn1.
What is the InChIKey of 3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol?
The InChIKey is UGASPMAKEUTVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,18-4)13(17)11-16(3)10-8-12-7-5-6-9-15-12/h5-7,9,13,17H,8,10-11H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol?
3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol is sourced from PubChem (CID 114228723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).