3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine

C14H27NO — CID 170276303

IUPAC3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
SMILESCOCC1(CN2CC(CC(C)(C)C)C2)CC1
InChIInChI=1S/C14H27NO/c1-13(2,3)7-12-8-15(9-12)10-14(5-6-14)11-16-4/h12H,5-11H2,1-4H3
InChIKeyUFXFIJISOCKVSD-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.78
Rot. Bonds5

About 3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine

3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine (PubChem CID 170276303) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
PubChem CID170276303
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
SMILESCOCC1(CN2CC(CC(C)(C)C)C2)CC1
InChIInChI=1S/C14H27NO/c1-13(2,3)7-12-8-15(9-12)10-14(5-6-14)11-16-4/h12H,5-11H2,1-4H3
InChIKeyUFXFIJISOCKVSD-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine (CID 170276303) is 3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine is COCC1(CN2CC(CC(C)(C)C)C2)CC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The InChIKey is UFXFIJISOCKVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)7-12-8-15(9-12)10-14(5-6-14)11-16-4/h12H,5-11H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine has a molecular weight of 225.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine is sourced from PubChem (CID 170276303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).