1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol

C11H24N2O3 — CID 106146261

IUPAC1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCOC1(OC)CN(CC(C)(O)CN(C)C)C1
InChIInChI=1S/C11H24N2O3/c1-10(14,6-12(2)3)7-13-8-11(9-13,15-4)16-5/h14H,6-9H2,1-5H3
InChIKeyCYGQBJVIHNWTFI-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.40
Rot. Bonds6

About 1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol

1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106146261) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106146261
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCOC1(OC)CN(CC(C)(O)CN(C)C)C1
InChIInChI=1S/C11H24N2O3/c1-10(14,6-12(2)3)7-13-8-11(9-13,15-4)16-5/h14H,6-9H2,1-5H3
InChIKeyCYGQBJVIHNWTFI-UHFFFAOYSA-N
XLogP-0.40
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-2-methyl-3-piperidin-1-ylpropan-2-ol
CID 106146302
2-[(3,3-dimethoxyazetidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 106253777
1-(dimethylamino)-2-methyl-3-(3-phenylazetidin-1-yl)propan-2-ol
CID 114149852
2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 106146365
1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol
CID 104549899
2-(3,3-dimethoxyazetidin-1-yl)-N-methylethanamine
CID 79677531
1-(dimethylamino)-2-methylpropan-2-ol;nickel
CID 158562647
3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol
CID 106353639
1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol
CID 104549849
3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol
CID 104550414
3-(3,3-dimethoxyazetidin-1-yl)-2-methylpropan-1-amine
CID 79686586
1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclobutan-1-amine
CID 103354274

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol (CID 106146261) is 1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol is COC1(OC)CN(CC(C)(O)CN(C)C)C1.
What is the InChIKey of 1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is CYGQBJVIHNWTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-10(14,6-12(2)3)7-13-8-11(9-13,15-4)16-5/h14H,6-9H2,1-5H3.
What are the key properties of 1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol?
1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 232.32 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethoxyazetidin-1-yl)-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106146261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).