3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine

C10H21NO — CID 20517334

IUPAC3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine
SMILESCC(C)N1CC(OC(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-6-9(7-11)12-10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyBGWBPCWWEBJGNK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.89
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine

3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine (PubChem CID 20517334) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine
PubChem CID20517334
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine
SMILESCC(C)N1CC(OC(C)(C)C)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-6-9(7-11)12-10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyBGWBPCWWEBJGNK-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine (CID 20517334) is 3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine is CC(C)N1CC(OC(C)(C)C)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine?
The InChIKey is BGWBPCWWEBJGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-6-9(7-11)12-10(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine?
3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine has a molecular weight of 171.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylazetidine is sourced from PubChem (CID 20517334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).