1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol

C12H24N2O — CID 164717118

IUPAC1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol
SMILESCC(C)(C)CN1CC(N2CC(C)(O)C2)C1
InChIInChI=1S/C12H24N2O/c1-11(2,3)7-13-5-10(6-13)14-8-12(4,15)9-14/h10,15H,5-9H2,1-4H3
InChIKeyULHBNWYEPBVFMH-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.78
Rot. Bonds2

About 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol

1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol (PubChem CID 164717118) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol
PubChem CID164717118
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol
SMILESCC(C)(C)CN1CC(N2CC(C)(O)C2)C1
InChIInChI=1S/C12H24N2O/c1-11(2,3)7-13-5-10(6-13)14-8-12(4,15)9-14/h10,15H,5-9H2,1-4H3
InChIKeyULHBNWYEPBVFMH-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
CID 177072799
tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate
CID 59605621
1-(1-tert-butylazetidin-3-yl)-4-[4-[4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazin-1-yl]-2,4-dimethylpentan-2-yl]piperazine
CID 138657278
3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane
CID 176622084
1-(2-methoxy-2-methylpropyl)-3-methylazetidin-3-ol
CID 131137557
1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine
CID 130253781
2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
1-(3-aminocyclopentyl)-3-methylazetidin-3-ol
CID 130905741
2-[1-(2,2-dimethylpropyl)azetidin-3-yl]acetic acid
CID 65069491
5-(2,2-dimethylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 58474347

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol (CID 164717118) is 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol is CC(C)(C)CN1CC(N2CC(C)(O)C2)C1.
What is the InChIKey of 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol?
The InChIKey is ULHBNWYEPBVFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)7-13-5-10(6-13)14-8-12(4,15)9-14/h10,15H,5-9H2,1-4H3.
What are the key properties of 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol?
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol is sourced from PubChem (CID 164717118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).