3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol

C10H21NO — CID 130679235

IUPAC3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol
SMILESCC1CN(CC(O)C(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-8-5-11(6-8)7-9(12)10(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyCBLWAIWASXHZII-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.35
Rot. Bonds2

About 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol

3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol (PubChem CID 130679235) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol
PubChem CID130679235
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol
SMILESCC1CN(CC(O)C(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-8-5-11(6-8)7-9(12)10(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyCBLWAIWASXHZII-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylazetidin-1-yl)propane-1,2-diol
CID 104550367
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol
CID 130501782
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741516
3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol
CID 106288664
(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460
2-hydroxy-3-(3-methylazetidin-1-yl)propanamide
CID 106172308
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol
CID 131162882
1-(3-methoxypiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 102966089

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol (CID 130679235) is 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol is CC1CN(CC(O)C(C)(C)C)C1.
What is the InChIKey of 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol?
The InChIKey is CBLWAIWASXHZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-5-11(6-8)7-9(12)10(2,3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol?
3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol is sourced from PubChem (CID 130679235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).