2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol

C13H27NO2 — CID 63712354

IUPAC2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CN(C)CC1CCCOC1
InChIInChI=1S/C13H27NO2/c1-4-13(2,11-15)10-14(3)8-12-6-5-7-16-9-12/h12,15H,4-11H2,1-3H3
InChIKeyQUCNDMRUNBYEKZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.75
Rot. Bonds6

About 2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol

2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol (PubChem CID 63712354) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol
PubChem CID63712354
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CN(C)CC1CCCOC1
InChIInChI=1S/C13H27NO2/c1-4-13(2,11-15)10-14(3)8-12-6-5-7-16-9-12/h12,15H,4-11H2,1-3H3
InChIKeyQUCNDMRUNBYEKZ-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol (CID 63712354) is 2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol is CCC(C)(CO)CN(C)CC1CCCOC1.
What is the InChIKey of 2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol?
The InChIKey is QUCNDMRUNBYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-13(2,11-15)10-14(3)8-12-6-5-7-16-9-12/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol?
2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 63712354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).