2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol

C11H23NO3 — CID 64810389

IUPAC2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol
SMILESCNC(C)(CO)CCOCC1CCOC1
InChIInChI=1S/C11H23NO3/c1-11(9-13,12-2)4-6-15-8-10-3-5-14-7-10/h10,12-13H,3-9H2,1-2H3
InChIKeySDDXEGIFOVHSKH-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.40
Rot. Bonds7

About 2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol

2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol (PubChem CID 64810389) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol
PubChem CID64810389
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol
SMILESCNC(C)(CO)CCOCC1CCOC1
InChIInChI=1S/C11H23NO3/c1-11(9-13,12-2)4-6-15-8-10-3-5-14-7-10/h10,12-13H,3-9H2,1-2H3
InChIKeySDDXEGIFOVHSKH-UHFFFAOYSA-N
XLogP0.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
CID 64808669
2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol
CID 114197400
2-methyl-2-(methylamino)-4-(oxan-4-yloxy)butan-1-ol
CID 64809766
2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64808670
2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine
CID 106708670
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64811178
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849
2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64798141
2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride
CID 119800069
2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64809774
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane
CID 66472549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol (CID 64810389) is 2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol is CNC(C)(CO)CCOCC1CCOC1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol?
The InChIKey is SDDXEGIFOVHSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(9-13,12-2)4-6-15-8-10-3-5-14-7-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol?
2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol is sourced from PubChem (CID 64810389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).